MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space group in the setting used:

N	(x,y,z)	(m_x,m_y,m_z)	Seitz notation
1	x,y,z,+1	m_x,m_y,m_z	{ 1 \| 0 }
2	x,-y,-z,+1	m_x,-m_y,-m_z	{ 2₁₀₀ \| 0 }
3	-x,y,-z,+1	-m_x,m_y,-m_z	{ 2₀₁₀ \| 0 }
4	-x,-y,z,+1	-m_x,-m_y,m_z	{ 2₀₀₁ \| 0 }
5	z,x,y,+1	m_z,m_x,m_y	{ 3⁺₁₁₁ \| 0 }
6	y,z,x,+1	m_y,m_z,m_x	{ 3^-₁₁₁ \| 0 }
7	-y,z,-x,+1	-m_y,m_z,-m_x	{ 3^-_1-1-1 \| 0 }
8	-z,-x,y,+1	-m_z,-m_x,m_y	{ 3⁺_1-1-1 \| 0 }
9	-y,-z,x,+1	-m_y,-m_z,m_x	{ 3^-_-11-1 \| 0 }
10	z,-x,-y,+1	m_z,-m_x,-m_y	{ 3⁺_-11-1 \| 0 }
11	y,-z,-x,+1	m_y,-m_z,-m_x	{ 3^-_-1-11 \| 0 }
12	-z,x,-y,+1	-m_z,m_x,-m_y	{ 3⁺_-1-11 \| 0 }
13	-x,z,-y,+1	m_x,-m_z,m_y	{ -4⁺₁₀₀ \| 0 }
14	-x,-z,y,+1	m_x,m_z,-m_y	{ -4^-₁₀₀ \| 0 }
15	-z,-y,x,+1	m_z,m_y,-m_x	{ -4⁺₀₁₀ \| 0 }
16	z,-y,-x,+1	-m_z,m_y,m_x	{ -4^-₀₁₀ \| 0 }
17	y,-x,-z,+1	-m_y,m_x,m_z	{ -4⁺₀₀₁ \| 0 }
18	-y,x,-z,+1	m_y,-m_x,m_z	{ -4^-₀₀₁ \| 0 }
19	-y,-x,z,+1	m_y,m_x,-m_z	{ m₁₁₀ \| 0 }
20	y,x,z,+1	-m_y,-m_x,-m_z	{ m_1-10 \| 0 }
21	x,-z,-y,+1	-m_x,m_z,m_y	{ m₀₁₁ \| 0 }
22	x,z,y,+1	-m_x,-m_z,-m_y	{ m_01-1 \| 0 }
23	-z,y,-x,+1	m_z,-m_y,m_x	{ m₁₀₁ \| 0 }
24	z,y,x,+1	-m_z,-m_y,-m_x	{ m_-101 \| 0 }
(0,1/2,1/2) + set click here to show and hide
25	x,y+1/2,z+1/2,+1	m_x,m_y,m_z	{ 1 \| 0 1/2 1/2 }
26	x,-y+1/2,-z+1/2,+1	m_x,-m_y,-m_z	{ 2₁₀₀ \| 0 1/2 1/2 }
27	-x,y+1/2,-z+1/2,+1	-m_x,m_y,-m_z	{ 2₀₁₀ \| 0 1/2 1/2 }
28	-x,-y+1/2,z+1/2,+1	-m_x,-m_y,m_z	{ 2₀₀₁ \| 0 1/2 1/2 }
29	z,x+1/2,y+1/2,+1	m_z,m_x,m_y	{ 3⁺₁₁₁ \| 0 1/2 1/2 }
30	y,z+1/2,x+1/2,+1	m_y,m_z,m_x	{ 3^-₁₁₁ \| 0 1/2 1/2 }
31	-y,z+1/2,-x+1/2,+1	-m_y,m_z,-m_x	{ 3^-_1-1-1 \| 0 1/2 1/2 }
32	-z,-x+1/2,y+1/2,+1	-m_z,-m_x,m_y	{ 3⁺_1-1-1 \| 0 1/2 1/2 }
33	-y,-z+1/2,x+1/2,+1	-m_y,-m_z,m_x	{ 3^-_-11-1 \| 0 1/2 1/2 }
34	z,-x+1/2,-y+1/2,+1	m_z,-m_x,-m_y	{ 3⁺_-11-1 \| 0 1/2 1/2 }
35	y,-z+1/2,-x+1/2,+1	m_y,-m_z,-m_x	{ 3^-_-1-11 \| 0 1/2 1/2 }
36	-z,x+1/2,-y+1/2,+1	-m_z,m_x,-m_y	{ 3⁺_-1-11 \| 0 1/2 1/2 }
37	-x,z+1/2,-y+1/2,+1	m_x,-m_z,m_y	{ -4⁺₁₀₀ \| 0 1/2 1/2 }
38	-x,-z+1/2,y+1/2,+1	m_x,m_z,-m_y	{ -4^-₁₀₀ \| 0 1/2 1/2 }
39	-z,-y+1/2,x+1/2,+1	m_z,m_y,-m_x	{ -4⁺₀₁₀ \| 0 1/2 1/2 }
40	z,-y+1/2,-x+1/2,+1	-m_z,m_y,m_x	{ -4^-₀₁₀ \| 0 1/2 1/2 }
41	y,-x+1/2,-z+1/2,+1	-m_y,m_x,m_z	{ -4⁺₀₀₁ \| 0 1/2 1/2 }
42	-y,x+1/2,-z+1/2,+1	m_y,-m_x,m_z	{ -4^-₀₀₁ \| 0 1/2 1/2 }
43	-y,-x+1/2,z+1/2,+1	m_y,m_x,-m_z	{ m₁₁₀ \| 0 1/2 1/2 }
44	y,x+1/2,z+1/2,+1	-m_y,-m_x,-m_z	{ m_1-10 \| 0 1/2 1/2 }
45	x,-z+1/2,-y+1/2,+1	-m_x,m_z,m_y	{ m₀₁₁ \| 0 1/2 1/2 }
46	x,z+1/2,y+1/2,+1	-m_x,-m_z,-m_y	{ m_01-1 \| 0 1/2 1/2 }
47	-z,y+1/2,-x+1/2,+1	m_z,-m_y,m_x	{ m₁₀₁ \| 0 1/2 1/2 }
48	z,y+1/2,x+1/2,+1	-m_z,-m_y,-m_x	{ m_-101 \| 0 1/2 1/2 }
(1/2,0,1/2) + set click here to show and hide
49	x+1/2,y,z+1/2,+1	m_x,m_y,m_z	{ 1 \| 1/2 0 1/2 }
50	x+1/2,-y,-z+1/2,+1	m_x,-m_y,-m_z	{ 2₁₀₀ \| 1/2 0 1/2 }
51	-x+1/2,y,-z+1/2,+1	-m_x,m_y,-m_z	{ 2₀₁₀ \| 1/2 0 1/2 }
52	-x+1/2,-y,z+1/2,+1	-m_x,-m_y,m_z	{ 2₀₀₁ \| 1/2 0 1/2 }
53	z+1/2,x,y+1/2,+1	m_z,m_x,m_y	{ 3⁺₁₁₁ \| 1/2 0 1/2 }
54	y+1/2,z,x+1/2,+1	m_y,m_z,m_x	{ 3^-₁₁₁ \| 1/2 0 1/2 }
55	-y+1/2,z,-x+1/2,+1	-m_y,m_z,-m_x	{ 3^-_1-1-1 \| 1/2 0 1/2 }
56	-z+1/2,-x,y+1/2,+1	-m_z,-m_x,m_y	{ 3⁺_1-1-1 \| 1/2 0 1/2 }
57	-y+1/2,-z,x+1/2,+1	-m_y,-m_z,m_x	{ 3^-_-11-1 \| 1/2 0 1/2 }
58	z+1/2,-x,-y+1/2,+1	m_z,-m_x,-m_y	{ 3⁺_-11-1 \| 1/2 0 1/2 }
59	y+1/2,-z,-x+1/2,+1	m_y,-m_z,-m_x	{ 3^-_-1-11 \| 1/2 0 1/2 }
60	-z+1/2,x,-y+1/2,+1	-m_z,m_x,-m_y	{ 3⁺_-1-11 \| 1/2 0 1/2 }
61	-x+1/2,z,-y+1/2,+1	m_x,-m_z,m_y	{ -4⁺₁₀₀ \| 1/2 0 1/2 }
62	-x+1/2,-z,y+1/2,+1	m_x,m_z,-m_y	{ -4^-₁₀₀ \| 1/2 0 1/2 }
63	-z+1/2,-y,x+1/2,+1	m_z,m_y,-m_x	{ -4⁺₀₁₀ \| 1/2 0 1/2 }
64	z+1/2,-y,-x+1/2,+1	-m_z,m_y,m_x	{ -4^-₀₁₀ \| 1/2 0 1/2 }
65	y+1/2,-x,-z+1/2,+1	-m_y,m_x,m_z	{ -4⁺₀₀₁ \| 1/2 0 1/2 }
66	-y+1/2,x,-z+1/2,+1	m_y,-m_x,m_z	{ -4^-₀₀₁ \| 1/2 0 1/2 }
67	-y+1/2,-x,z+1/2,+1	m_y,m_x,-m_z	{ m₁₁₀ \| 1/2 0 1/2 }
68	y+1/2,x,z+1/2,+1	-m_y,-m_x,-m_z	{ m_1-10 \| 1/2 0 1/2 }
69	x+1/2,-z,-y+1/2,+1	-m_x,m_z,m_y	{ m₀₁₁ \| 1/2 0 1/2 }
70	x+1/2,z,y+1/2,+1	-m_x,-m_z,-m_y	{ m_01-1 \| 1/2 0 1/2 }
71	-z+1/2,y,-x+1/2,+1	m_z,-m_y,m_x	{ m₁₀₁ \| 1/2 0 1/2 }
72	z+1/2,y,x+1/2,+1	-m_z,-m_y,-m_x	{ m_-101 \| 1/2 0 1/2 }
(1/2,1/2,0) + set click here to show and hide
73	x+1/2,y+1/2,z,+1	m_x,m_y,m_z	{ 1 \| 1/2 1/2 0 }
74	x+1/2,-y+1/2,-z,+1	m_x,-m_y,-m_z	{ 2₁₀₀ \| 1/2 1/2 0 }
75	-x+1/2,y+1/2,-z,+1	-m_x,m_y,-m_z	{ 2₀₁₀ \| 1/2 1/2 0 }
76	-x+1/2,-y+1/2,z,+1	-m_x,-m_y,m_z	{ 2₀₀₁ \| 1/2 1/2 0 }
77	z+1/2,x+1/2,y,+1	m_z,m_x,m_y	{ 3⁺₁₁₁ \| 1/2 1/2 0 }
78	y+1/2,z+1/2,x,+1	m_y,m_z,m_x	{ 3^-₁₁₁ \| 1/2 1/2 0 }
79	-y+1/2,z+1/2,-x,+1	-m_y,m_z,-m_x	{ 3^-_1-1-1 \| 1/2 1/2 0 }
80	-z+1/2,-x+1/2,y,+1	-m_z,-m_x,m_y	{ 3⁺_1-1-1 \| 1/2 1/2 0 }
81	-y+1/2,-z+1/2,x,+1	-m_y,-m_z,m_x	{ 3^-_-11-1 \| 1/2 1/2 0 }
82	z+1/2,-x+1/2,-y,+1	m_z,-m_x,-m_y	{ 3⁺_-11-1 \| 1/2 1/2 0 }
83	y+1/2,-z+1/2,-x,+1	m_y,-m_z,-m_x	{ 3^-_-1-11 \| 1/2 1/2 0 }
84	-z+1/2,x+1/2,-y,+1	-m_z,m_x,-m_y	{ 3⁺_-1-11 \| 1/2 1/2 0 }
85	-x+1/2,z+1/2,-y,+1	m_x,-m_z,m_y	{ -4⁺₁₀₀ \| 1/2 1/2 0 }
86	-x+1/2,-z+1/2,y,+1	m_x,m_z,-m_y	{ -4^-₁₀₀ \| 1/2 1/2 0 }
87	-z+1/2,-y+1/2,x,+1	m_z,m_y,-m_x	{ -4⁺₀₁₀ \| 1/2 1/2 0 }
88	z+1/2,-y+1/2,-x,+1	-m_z,m_y,m_x	{ -4^-₀₁₀ \| 1/2 1/2 0 }
89	y+1/2,-x+1/2,-z,+1	-m_y,m_x,m_z	{ -4⁺₀₀₁ \| 1/2 1/2 0 }
90	-y+1/2,x+1/2,-z,+1	m_y,-m_x,m_z	{ -4^-₀₀₁ \| 1/2 1/2 0 }
91	-y+1/2,-x+1/2,z,+1	m_y,m_x,-m_z	{ m₁₁₀ \| 1/2 1/2 0 }
92	y+1/2,x+1/2,z,+1	-m_y,-m_x,-m_z	{ m_1-10 \| 1/2 1/2 0 }
93	x+1/2,-z+1/2,-y,+1	-m_x,m_z,m_y	{ m₀₁₁ \| 1/2 1/2 0 }
94	x+1/2,z+1/2,y,+1	-m_x,-m_z,-m_y	{ m_01-1 \| 1/2 1/2 0 }
95	-z+1/2,y+1/2,-x,+1	m_z,-m_y,m_x	{ m₁₀₁ \| 1/2 1/2 0 }
96	z+1/2,y+1/2,x,+1	-m_z,-m_y,-m_x	{ m_-101 \| 1/2 1/2 0 }
(0,0,1/2)' + set click here to show and hide
97	x,y,z+1/2,-1	-m_x,-m_y,-m_z	{ 1' \| 0 0 1/2 }
98	x,-y,-z+1/2,-1	-m_x,m_y,m_z	{ 2'₁₀₀ \| 0 0 1/2 }
99	-x,y,-z+1/2,-1	m_x,-m_y,m_z	{ 2'₀₁₀ \| 0 0 1/2 }
100	-x,-y,z+1/2,-1	m_x,m_y,-m_z	{ 2'₀₀₁ \| 0 0 1/2 }
101	z,x,y+1/2,-1	-m_z,-m_x,-m_y	{ 3'⁺₁₁₁ \| 0 0 1/2 }
102	y,z,x+1/2,-1	-m_y,-m_z,-m_x	{ 3'^-₁₁₁ \| 0 0 1/2 }
103	-y,z,-x+1/2,-1	m_y,-m_z,m_x	{ 3'^-_1-1-1 \| 0 0 1/2 }
104	-z,-x,y+1/2,-1	m_z,m_x,-m_y	{ 3'⁺_1-1-1 \| 0 0 1/2 }
105	-y,-z,x+1/2,-1	m_y,m_z,-m_x	{ 3'^-_-11-1 \| 0 0 1/2 }
106	z,-x,-y+1/2,-1	-m_z,m_x,m_y	{ 3'⁺_-11-1 \| 0 0 1/2 }
107	y,-z,-x+1/2,-1	-m_y,m_z,m_x	{ 3'^-_-1-11 \| 0 0 1/2 }
108	-z,x,-y+1/2,-1	m_z,-m_x,m_y	{ 3'⁺_-1-11 \| 0 0 1/2 }
109	-x,z,-y+1/2,-1	-m_x,m_z,-m_y	{ -4'⁺₁₀₀ \| 0 0 1/2 }
110	-x,-z,y+1/2,-1	-m_x,-m_z,m_y	{ -4'^-₁₀₀ \| 0 0 1/2 }
111	-z,-y,x+1/2,-1	-m_z,-m_y,m_x	{ -4'⁺₀₁₀ \| 0 0 1/2 }
112	z,-y,-x+1/2,-1	m_z,-m_y,-m_x	{ -4'^-₀₁₀ \| 0 0 1/2 }
113	y,-x,-z+1/2,-1	m_y,-m_x,-m_z	{ -4'⁺₀₀₁ \| 0 0 1/2 }
114	-y,x,-z+1/2,-1	-m_y,m_x,-m_z	{ -4'^-₀₀₁ \| 0 0 1/2 }
115	-y,-x,z+1/2,-1	-m_y,-m_x,m_z	{ m'₁₁₀ \| 0 0 1/2 }
116	y,x,z+1/2,-1	m_y,m_x,m_z	{ m'_1-10 \| 0 0 1/2 }
117	x,-z,-y+1/2,-1	m_x,-m_z,-m_y	{ m'₀₁₁ \| 0 0 1/2 }
118	x,z,y+1/2,-1	m_x,m_z,m_y	{ m'_01-1 \| 0 0 1/2 }
119	-z,y,-x+1/2,-1	-m_z,m_y,-m_x	{ m'₁₀₁ \| 0 0 1/2 }
120	z,y,x+1/2,-1	m_z,m_y,m_x	{ m'_-101 \| 0 0 1/2 }
(0,1/2,0)' + set click here to show and hide
121	x,y+1/2,z,-1	-m_x,-m_y,-m_z	{ 1' \| 0 1/2 0 }
122	x,-y+1/2,-z,-1	-m_x,m_y,m_z	{ 2'₁₀₀ \| 0 1/2 0 }
123	-x,y+1/2,-z,-1	m_x,-m_y,m_z	{ 2'₀₁₀ \| 0 1/2 0 }
124	-x,-y+1/2,z,-1	m_x,m_y,-m_z	{ 2'₀₀₁ \| 0 1/2 0 }
125	z,x+1/2,y,-1	-m_z,-m_x,-m_y	{ 3'⁺₁₁₁ \| 0 1/2 0 }
126	y,z+1/2,x,-1	-m_y,-m_z,-m_x	{ 3'^-₁₁₁ \| 0 1/2 0 }
127	-y,z+1/2,-x,-1	m_y,-m_z,m_x	{ 3'^-_1-1-1 \| 0 1/2 0 }
128	-z,-x+1/2,y,-1	m_z,m_x,-m_y	{ 3'⁺_1-1-1 \| 0 1/2 0 }
129	-y,-z+1/2,x,-1	m_y,m_z,-m_x	{ 3'^-_-11-1 \| 0 1/2 0 }
130	z,-x+1/2,-y,-1	-m_z,m_x,m_y	{ 3'⁺_-11-1 \| 0 1/2 0 }
131	y,-z+1/2,-x,-1	-m_y,m_z,m_x	{ 3'^-_-1-11 \| 0 1/2 0 }
132	-z,x+1/2,-y,-1	m_z,-m_x,m_y	{ 3'⁺_-1-11 \| 0 1/2 0 }
133	-x,z+1/2,-y,-1	-m_x,m_z,-m_y	{ -4'⁺₁₀₀ \| 0 1/2 0 }
134	-x,-z+1/2,y,-1	-m_x,-m_z,m_y	{ -4'^-₁₀₀ \| 0 1/2 0 }
135	-z,-y+1/2,x,-1	-m_z,-m_y,m_x	{ -4'⁺₀₁₀ \| 0 1/2 0 }
136	z,-y+1/2,-x,-1	m_z,-m_y,-m_x	{ -4'^-₀₁₀ \| 0 1/2 0 }
137	y,-x+1/2,-z,-1	m_y,-m_x,-m_z	{ -4'⁺₀₀₁ \| 0 1/2 0 }
138	-y,x+1/2,-z,-1	-m_y,m_x,-m_z	{ -4'^-₀₀₁ \| 0 1/2 0 }
139	-y,-x+1/2,z,-1	-m_y,-m_x,m_z	{ m'₁₁₀ \| 0 1/2 0 }
140	y,x+1/2,z,-1	m_y,m_x,m_z	{ m'_1-10 \| 0 1/2 0 }
141	x,-z+1/2,-y,-1	m_x,-m_z,-m_y	{ m'₀₁₁ \| 0 1/2 0 }
142	x,z+1/2,y,-1	m_x,m_z,m_y	{ m'_01-1 \| 0 1/2 0 }
143	-z,y+1/2,-x,-1	-m_z,m_y,-m_x	{ m'₁₀₁ \| 0 1/2 0 }
144	z,y+1/2,x,-1	m_z,m_y,m_x	{ m'_-101 \| 0 1/2 0 }
(1/2,0,0)' + set click here to show and hide
145	x+1/2,y,z,-1	-m_x,-m_y,-m_z	{ 1' \| 1/2 0 0 }
146	x+1/2,-y,-z,-1	-m_x,m_y,m_z	{ 2'₁₀₀ \| 1/2 0 0 }
147	-x+1/2,y,-z,-1	m_x,-m_y,m_z	{ 2'₀₁₀ \| 1/2 0 0 }
148	-x+1/2,-y,z,-1	m_x,m_y,-m_z	{ 2'₀₀₁ \| 1/2 0 0 }
149	z+1/2,x,y,-1	-m_z,-m_x,-m_y	{ 3'⁺₁₁₁ \| 1/2 0 0 }
150	y+1/2,z,x,-1	-m_y,-m_z,-m_x	{ 3'^-₁₁₁ \| 1/2 0 0 }
151	-y+1/2,z,-x,-1	m_y,-m_z,m_x	{ 3'^-_1-1-1 \| 1/2 0 0 }
152	-z+1/2,-x,y,-1	m_z,m_x,-m_y	{ 3'⁺_1-1-1 \| 1/2 0 0 }
153	-y+1/2,-z,x,-1	m_y,m_z,-m_x	{ 3'^-_-11-1 \| 1/2 0 0 }
154	z+1/2,-x,-y,-1	-m_z,m_x,m_y	{ 3'⁺_-11-1 \| 1/2 0 0 }
155	y+1/2,-z,-x,-1	-m_y,m_z,m_x	{ 3'^-_-1-11 \| 1/2 0 0 }
156	-z+1/2,x,-y,-1	m_z,-m_x,m_y	{ 3'⁺_-1-11 \| 1/2 0 0 }
157	-x+1/2,z,-y,-1	-m_x,m_z,-m_y	{ -4'⁺₁₀₀ \| 1/2 0 0 }
158	-x+1/2,-z,y,-1	-m_x,-m_z,m_y	{ -4'^-₁₀₀ \| 1/2 0 0 }
159	-z+1/2,-y,x,-1	-m_z,-m_y,m_x	{ -4'⁺₀₁₀ \| 1/2 0 0 }
160	z+1/2,-y,-x,-1	m_z,-m_y,-m_x	{ -4'^-₀₁₀ \| 1/2 0 0 }
161	y+1/2,-x,-z,-1	m_y,-m_x,-m_z	{ -4'⁺₀₀₁ \| 1/2 0 0 }
162	-y+1/2,x,-z,-1	-m_y,m_x,-m_z	{ -4'^-₀₀₁ \| 1/2 0 0 }
163	-y+1/2,-x,z,-1	-m_y,-m_x,m_z	{ m'₁₁₀ \| 1/2 0 0 }
164	y+1/2,x,z,-1	m_y,m_x,m_z	{ m'_1-10 \| 1/2 0 0 }
165	x+1/2,-z,-y,-1	m_x,-m_z,-m_y	{ m'₀₁₁ \| 1/2 0 0 }
166	x+1/2,z,y,-1	m_x,m_z,m_y	{ m'_01-1 \| 1/2 0 0 }
167	-z+1/2,y,-x,-1	-m_z,m_y,-m_x	{ m'₁₀₁ \| 1/2 0 0 }
168	z+1/2,y,x,-1	m_z,m_y,m_x	{ m'_-101 \| 1/2 0 0 }
(1/2,1/2,1/2)' + set click here to show and hide
169	x+1/2,y+1/2,z+1/2,-1	-m_x,-m_y,-m_z	{ 1' \| 1/2 1/2 1/2 }
170	x+1/2,-y+1/2,-z+1/2,-1	-m_x,m_y,m_z	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
171	-x+1/2,y+1/2,-z+1/2,-1	m_x,-m_y,m_z	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
172	-x+1/2,-y+1/2,z+1/2,-1	m_x,m_y,-m_z	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
173	z+1/2,x+1/2,y+1/2,-1	-m_z,-m_x,-m_y	{ 3'⁺₁₁₁ \| 1/2 1/2 1/2 }
174	y+1/2,z+1/2,x+1/2,-1	-m_y,-m_z,-m_x	{ 3'^-₁₁₁ \| 1/2 1/2 1/2 }
175	-y+1/2,z+1/2,-x+1/2,-1	m_y,-m_z,m_x	{ 3'^-_1-1-1 \| 1/2 1/2 1/2 }
176	-z+1/2,-x+1/2,y+1/2,-1	m_z,m_x,-m_y	{ 3'⁺_1-1-1 \| 1/2 1/2 1/2 }
177	-y+1/2,-z+1/2,x+1/2,-1	m_y,m_z,-m_x	{ 3'^-_-11-1 \| 1/2 1/2 1/2 }
178	z+1/2,-x+1/2,-y+1/2,-1	-m_z,m_x,m_y	{ 3'⁺_-11-1 \| 1/2 1/2 1/2 }
179	y+1/2,-z+1/2,-x+1/2,-1	-m_y,m_z,m_x	{ 3'^-_-1-11 \| 1/2 1/2 1/2 }
180	-z+1/2,x+1/2,-y+1/2,-1	m_z,-m_x,m_y	{ 3'⁺_-1-11 \| 1/2 1/2 1/2 }
181	-x+1/2,z+1/2,-y+1/2,-1	-m_x,m_z,-m_y	{ -4'⁺₁₀₀ \| 1/2 1/2 1/2 }
182	-x+1/2,-z+1/2,y+1/2,-1	-m_x,-m_z,m_y	{ -4'^-₁₀₀ \| 1/2 1/2 1/2 }
183	-z+1/2,-y+1/2,x+1/2,-1	-m_z,-m_y,m_x	{ -4'⁺₀₁₀ \| 1/2 1/2 1/2 }
184	z+1/2,-y+1/2,-x+1/2,-1	m_z,-m_y,-m_x	{ -4'^-₀₁₀ \| 1/2 1/2 1/2 }
185	y+1/2,-x+1/2,-z+1/2,-1	m_y,-m_x,-m_z	{ -4'⁺₀₀₁ \| 1/2 1/2 1/2 }
186	-y+1/2,x+1/2,-z+1/2,-1	-m_y,m_x,-m_z	{ -4'^-₀₀₁ \| 1/2 1/2 1/2 }
187	-y+1/2,-x+1/2,z+1/2,-1	-m_y,-m_x,m_z	{ m'₁₁₀ \| 1/2 1/2 1/2 }
188	y+1/2,x+1/2,z+1/2,-1	m_y,m_x,m_z	{ m'_1-10 \| 1/2 1/2 1/2 }
189	x+1/2,-z+1/2,-y+1/2,-1	m_x,-m_z,-m_y	{ m'₀₁₁ \| 1/2 1/2 1/2 }
190	x+1/2,z+1/2,y+1/2,-1	m_x,m_z,m_y	{ m'_01-1 \| 1/2 1/2 1/2 }
191	-z+1/2,y+1/2,-x+1/2,-1	-m_z,m_y,-m_x	{ m'₁₀₁ \| 1/2 1/2 1/2 }
192	z+1/2,y+1/2,x+1/2,-1	m_z,m_y,m_x	{ m'_-101 \| 1/2 1/2 1/2 }

[Hide]

Symmetry operations of the magnetic point group in the setting used:

N	(x,y,z)	(m_x,m_y,m_z)	Seitz notation
1	x,y,z,+1	m_x,m_y,m_z	1
2	x,-y,-z,+1	m_x,-m_y,-m_z	2₁₀₀
3	-x,y,-z,+1	-m_x,m_y,-m_z	2₀₁₀
4	-x,-y,z,+1	-m_x,-m_y,m_z	2₀₀₁
5	z,x,y,+1	m_z,m_x,m_y	3⁺₁₁₁
6	y,z,x,+1	m_y,m_z,m_x	3^-₁₁₁
7	-y,z,-x,+1	-m_y,m_z,-m_x	3^-_1-1-1
8	-z,-x,y,+1	-m_z,-m_x,m_y	3⁺_1-1-1
9	-y,-z,x,+1	-m_y,-m_z,m_x	3^-_-11-1
10	z,-x,-y,+1	m_z,-m_x,-m_y	3⁺_-11-1
11	y,-z,-x,+1	m_y,-m_z,-m_x	3^-_-1-11
12	-z,x,-y,+1	-m_z,m_x,-m_y	3⁺_-1-11
13	-x,z,-y,+1	m_x,-m_z,m_y	-4⁺₁₀₀
14	-x,-z,y,+1	m_x,m_z,-m_y	-4^-₁₀₀
15	-z,-y,x,+1	m_z,m_y,-m_x	-4⁺₀₁₀
16	z,-y,-x,+1	-m_z,m_y,m_x	-4^-₀₁₀
17	y,-x,-z,+1	-m_y,m_x,m_z	-4⁺₀₀₁
18	-y,x,-z,+1	m_y,-m_x,m_z	-4^-₀₀₁
19	-y,-x,z,+1	m_y,m_x,-m_z	m₁₁₀
20	y,x,z,+1	-m_y,-m_x,-m_z	m_1-10
21	x,-z,-y,+1	-m_x,m_z,m_y	m₀₁₁
22	x,z,y,+1	-m_x,-m_z,-m_y	m_01-1
23	-z,y,-x,+1	m_z,-m_y,m_x	m₁₀₁
24	z,y,x,+1	-m_z,-m_y,-m_x	m_-101
1' + set click here to show and hide
25	x,y,z,-1	-m_x,-m_y,-m_z	1'
26	x,-y,-z,-1	-m_x,m_y,m_z	2'₁₀₀
27	-x,y,-z,-1	m_x,-m_y,m_z	2'₀₁₀
28	-x,-y,z,-1	m_x,m_y,-m_z	2'₀₀₁
29	z,x,y,-1	-m_z,-m_x,-m_y	3'⁺₁₁₁
30	y,z,x,-1	-m_y,-m_z,-m_x	3'^-₁₁₁
31	-y,z,-x,-1	m_y,-m_z,m_x	3'^-_1-1-1
32	-z,-x,y,-1	m_z,m_x,-m_y	3'⁺_1-1-1
33	-y,-z,x,-1	m_y,m_z,-m_x	3'^-_-11-1
34	z,-x,-y,-1	-m_z,m_x,m_y	3'⁺_-11-1
35	y,-z,-x,-1	-m_y,m_z,m_x	3'^-_-1-11
36	-z,x,-y,-1	m_z,-m_x,m_y	3'⁺_-1-11
37	-x,z,-y,-1	-m_x,m_z,-m_y	-4'⁺₁₀₀
38	-x,-z,y,-1	-m_x,-m_z,m_y	-4'^-₁₀₀
39	-z,-y,x,-1	-m_z,-m_y,m_x	-4'⁺₀₁₀
40	z,-y,-x,-1	m_z,-m_y,-m_x	-4'^-₀₁₀
41	y,-x,-z,-1	m_y,-m_x,-m_z	-4'⁺₀₀₁
42	-y,x,-z,-1	-m_y,m_x,-m_z	-4'^-₀₀₁
43	-y,-x,z,-1	-m_y,-m_x,m_z	m'₁₁₀
44	y,x,z,-1	m_y,m_x,m_z	m'_1-10
45	x,-z,-y,-1	m_x,-m_z,-m_y	m'₀₁₁
46	x,z,y,-1	m_x,m_z,m_y	m'_01-1
47	-z,y,-x,-1	-m_z,m_y,-m_x	m'₁₀₁
48	z,y,x,-1	m_z,m_y,m_x	m'_-101

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Gd1_1	Gd	0.06250	0.81250	0.06250	96	m_x,0,-m_x	4.95	0.0	-4.95	7.00
Gd1_2	Gd	0.31250	0.18750	0.18750	32	0,0,0	0.0	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ti1_1	Ti	0.31250	0.06250	0.31250	96
Ti1_2	Ti	0.06250	0.93750	0.43750	32
O1_1	O	0.12500	0.87500	0.12500	32
O1_2	O	0.50000	0.00000	0.25000	24
O1_3	O	0.25000	0.25000	0.25000	8
O2_1	O	0.27565	0.87500	0.12500	96
O2_2	O	0.12500	0.02565	0.12500	96
O2_3	O	0.50000	0.15065	0.25000	96
O2_4	O	0.50000	0.59935	0.50000	48
O2_5	O	0.09935	0.25000	0.25000	48

[Show all atoms in unit cell and their moment relations]

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Magnetic atoms:

Set of atoms in the unit cell related by symmetry with the magnetic atom Gd1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.06250	0.81250	0.06250	m_x,0,-m_x	4.95000	0.00000	-4.95000
2	0.06250	0.18750	0.93750	m_x,0,m_x	4.95000	0.00000	4.95000
3	0.93750	0.81250	0.93750	-m_x,0,m_x	-4.95000	0.00000	4.95000
4	0.93750	0.18750	0.06250	-m_x,0,-m_x	-4.95000	0.00000	-4.95000
5	0.06250	0.06250	0.81250	-m_x,m_x,0	-4.95000	4.95000	0.00000
6	0.81250	0.06250	0.06250	0,-m_x,m_x	0.00000	-4.95000	4.95000
7	0.18750	0.06250	0.93750	0,-m_x,-m_x	0.00000	-4.95000	-4.95000
8	0.93750	0.93750	0.81250	m_x,-m_x,0	4.95000	-4.95000	0.00000
9	0.18750	0.93750	0.06250	0,m_x,m_x	0.00000	4.95000	4.95000
10	0.06250	0.93750	0.18750	-m_x,-m_x,0	-4.95000	-4.95000	0.00000
11	0.81250	0.93750	0.93750	0,m_x,-m_x	0.00000	4.95000	-4.95000
12	0.93750	0.06250	0.18750	m_x,m_x,0	4.95000	4.95000	0.00000
(0,1/2,1/2) + set click here to show and hide
13	0.06250	0.31250	0.56250	m_x,0,-m_x	4.95000	0.00000	-4.95000
14	0.06250	0.68750	0.43750	m_x,0,m_x	4.95000	0.00000	4.95000
15	0.93750	0.31250	0.43750	-m_x,0,m_x	-4.95000	0.00000	4.95000
16	0.93750	0.68750	0.56250	-m_x,0,-m_x	-4.95000	0.00000	-4.95000
17	0.06250	0.56250	0.31250	-m_x,m_x,0	-4.95000	4.95000	0.00000
18	0.81250	0.56250	0.56250	0,-m_x,m_x	0.00000	-4.95000	4.95000
19	0.18750	0.56250	0.43750	0,-m_x,-m_x	0.00000	-4.95000	-4.95000
20	0.93750	0.43750	0.31250	m_x,-m_x,0	4.95000	-4.95000	0.00000
21	0.18750	0.43750	0.56250	0,m_x,m_x	0.00000	4.95000	4.95000
22	0.06250	0.43750	0.68750	-m_x,-m_x,0	-4.95000	-4.95000	0.00000
23	0.81250	0.43750	0.43750	0,m_x,-m_x	0.00000	4.95000	-4.95000
24	0.93750	0.56250	0.68750	m_x,m_x,0	4.95000	4.95000	0.00000
(1/2,0,1/2) + set click here to show and hide
25	0.56250	0.81250	0.56250	m_x,0,-m_x	4.95000	0.00000	-4.95000
26	0.56250	0.18750	0.43750	m_x,0,m_x	4.95000	0.00000	4.95000
27	0.43750	0.81250	0.43750	-m_x,0,m_x	-4.95000	0.00000	4.95000
28	0.43750	0.18750	0.56250	-m_x,0,-m_x	-4.95000	0.00000	-4.95000
29	0.56250	0.06250	0.31250	-m_x,m_x,0	-4.95000	4.95000	0.00000
30	0.31250	0.06250	0.56250	0,-m_x,m_x	0.00000	-4.95000	4.95000
31	0.68750	0.06250	0.43750	0,-m_x,-m_x	0.00000	-4.95000	-4.95000
32	0.43750	0.93750	0.31250	m_x,-m_x,0	4.95000	-4.95000	0.00000
33	0.68750	0.93750	0.56250	0,m_x,m_x	0.00000	4.95000	4.95000
34	0.56250	0.93750	0.68750	-m_x,-m_x,0	-4.95000	-4.95000	0.00000
35	0.31250	0.93750	0.43750	0,m_x,-m_x	0.00000	4.95000	-4.95000
36	0.43750	0.06250	0.68750	m_x,m_x,0	4.95000	4.95000	0.00000
(1/2,1/2,0) + set click here to show and hide
37	0.56250	0.31250	0.06250	m_x,0,-m_x	4.95000	0.00000	-4.95000
38	0.56250	0.68750	0.93750	m_x,0,m_x	4.95000	0.00000	4.95000
39	0.43750	0.31250	0.93750	-m_x,0,m_x	-4.95000	0.00000	4.95000
40	0.43750	0.68750	0.06250	-m_x,0,-m_x	-4.95000	0.00000	-4.95000
41	0.56250	0.56250	0.81250	-m_x,m_x,0	-4.95000	4.95000	0.00000
42	0.31250	0.56250	0.06250	0,-m_x,m_x	0.00000	-4.95000	4.95000
43	0.68750	0.56250	0.93750	0,-m_x,-m_x	0.00000	-4.95000	-4.95000
44	0.43750	0.43750	0.81250	m_x,-m_x,0	4.95000	-4.95000	0.00000
45	0.68750	0.43750	0.06250	0,m_x,m_x	0.00000	4.95000	4.95000
46	0.56250	0.43750	0.18750	-m_x,-m_x,0	-4.95000	-4.95000	0.00000
47	0.31250	0.43750	0.93750	0,m_x,-m_x	0.00000	4.95000	-4.95000
48	0.43750	0.56250	0.18750	m_x,m_x,0	4.95000	4.95000	0.00000
(0,0,1/2)' + set click here to show and hide
49	0.06250	0.81250	0.56250	-m_x,0,m_x	-4.95000	0.00000	4.95000
50	0.06250	0.18750	0.43750	-m_x,0,-m_x	-4.95000	0.00000	-4.95000
51	0.93750	0.81250	0.43750	m_x,0,-m_x	4.95000	0.00000	-4.95000
52	0.93750	0.18750	0.56250	m_x,0,m_x	4.95000	0.00000	4.95000
53	0.06250	0.06250	0.31250	m_x,-m_x,0	4.95000	-4.95000	0.00000
54	0.81250	0.06250	0.56250	0,m_x,-m_x	0.00000	4.95000	-4.95000
55	0.18750	0.06250	0.43750	0,m_x,m_x	0.00000	4.95000	4.95000
56	0.93750	0.93750	0.31250	-m_x,m_x,0	-4.95000	4.95000	0.00000
57	0.18750	0.93750	0.56250	0,-m_x,-m_x	0.00000	-4.95000	-4.95000
58	0.06250	0.93750	0.68750	m_x,m_x,0	4.95000	4.95000	0.00000
59	0.81250	0.93750	0.43750	0,-m_x,m_x	0.00000	-4.95000	4.95000
60	0.93750	0.06250	0.68750	-m_x,-m_x,0	-4.95000	-4.95000	0.00000
(0,1/2,0)' + set click here to show and hide
61	0.06250	0.31250	0.06250	-m_x,0,m_x	-4.95000	0.00000	4.95000
62	0.06250	0.68750	0.93750	-m_x,0,-m_x	-4.95000	0.00000	-4.95000
63	0.93750	0.31250	0.93750	m_x,0,-m_x	4.95000	0.00000	-4.95000
64	0.93750	0.68750	0.06250	m_x,0,m_x	4.95000	0.00000	4.95000
65	0.06250	0.56250	0.81250	m_x,-m_x,0	4.95000	-4.95000	0.00000
66	0.81250	0.56250	0.06250	0,m_x,-m_x	0.00000	4.95000	-4.95000
67	0.18750	0.56250	0.93750	0,m_x,m_x	0.00000	4.95000	4.95000
68	0.93750	0.43750	0.81250	-m_x,m_x,0	-4.95000	4.95000	0.00000
69	0.18750	0.43750	0.06250	0,-m_x,-m_x	0.00000	-4.95000	-4.95000
70	0.06250	0.43750	0.18750	m_x,m_x,0	4.95000	4.95000	0.00000
71	0.81250	0.43750	0.93750	0,-m_x,m_x	0.00000	-4.95000	4.95000
72	0.93750	0.56250	0.18750	-m_x,-m_x,0	-4.95000	-4.95000	0.00000
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73	0.56250	0.81250	0.06250	-m_x,0,m_x	-4.95000	0.00000	4.95000
74	0.56250	0.18750	0.93750	-m_x,0,-m_x	-4.95000	0.00000	-4.95000
75	0.43750	0.81250	0.93750	m_x,0,-m_x	4.95000	0.00000	-4.95000
76	0.43750	0.18750	0.06250	m_x,0,m_x	4.95000	0.00000	4.95000
77	0.56250	0.06250	0.81250	m_x,-m_x,0	4.95000	-4.95000	0.00000
78	0.31250	0.06250	0.06250	0,m_x,-m_x	0.00000	4.95000	-4.95000
79	0.68750	0.06250	0.93750	0,m_x,m_x	0.00000	4.95000	4.95000
80	0.43750	0.93750	0.81250	-m_x,m_x,0	-4.95000	4.95000	0.00000
81	0.68750	0.93750	0.06250	0,-m_x,-m_x	0.00000	-4.95000	-4.95000
82	0.56250	0.93750	0.18750	m_x,m_x,0	4.95000	4.95000	0.00000
83	0.31250	0.93750	0.93750	0,-m_x,m_x	0.00000	-4.95000	4.95000
84	0.43750	0.06250	0.18750	-m_x,-m_x,0	-4.95000	-4.95000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
85	0.56250	0.31250	0.56250	-m_x,0,m_x	-4.95000	0.00000	4.95000
86	0.56250	0.68750	0.43750	-m_x,0,-m_x	-4.95000	0.00000	-4.95000
87	0.43750	0.31250	0.43750	m_x,0,-m_x	4.95000	0.00000	-4.95000
88	0.43750	0.68750	0.56250	m_x,0,m_x	4.95000	0.00000	4.95000
89	0.56250	0.56250	0.31250	m_x,-m_x,0	4.95000	-4.95000	0.00000
90	0.31250	0.56250	0.56250	0,m_x,-m_x	0.00000	4.95000	-4.95000
91	0.68750	0.56250	0.43750	0,m_x,m_x	0.00000	4.95000	4.95000
92	0.43750	0.43750	0.31250	-m_x,m_x,0	-4.95000	4.95000	0.00000
93	0.68750	0.43750	0.56250	0,-m_x,-m_x	0.00000	-4.95000	-4.95000
94	0.56250	0.43750	0.68750	m_x,m_x,0	4.95000	4.95000	0.00000
95	0.31250	0.43750	0.43750	0,-m_x,m_x	0.00000	-4.95000	4.95000
96	0.43750	0.56250	0.68750	-m_x,-m_x,0	-4.95000	-4.95000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Gd1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.31250	0.18750	0.18750	0,0,0	0.00000	0.00000	0.00000
2	0.31250	0.81250	0.81250	0,0,0	0.00000	0.00000	0.00000
3	0.68750	0.18750	0.81250	0,0,0	0.00000	0.00000	0.00000
4	0.68750	0.81250	0.18750	0,0,0	0.00000	0.00000	0.00000
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5	0.31250	0.68750	0.68750	0,0,0	0.00000	0.00000	0.00000
6	0.31250	0.31250	0.31250	0,0,0	0.00000	0.00000	0.00000
7	0.68750	0.68750	0.31250	0,0,0	0.00000	0.00000	0.00000
8	0.68750	0.31250	0.68750	0,0,0	0.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.81250	0.18750	0.68750	0,0,0	0.00000	0.00000	0.00000
10	0.81250	0.81250	0.31250	0,0,0	0.00000	0.00000	0.00000
11	0.18750	0.18750	0.31250	0,0,0	0.00000	0.00000	0.00000
12	0.18750	0.81250	0.68750	0,0,0	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
13	0.81250	0.68750	0.18750	0,0,0	0.00000	0.00000	0.00000
14	0.81250	0.31250	0.81250	0,0,0	0.00000	0.00000	0.00000
15	0.18750	0.68750	0.81250	0,0,0	0.00000	0.00000	0.00000
16	0.18750	0.31250	0.18750	0,0,0	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
17	0.31250	0.18750	0.68750	0,0,0	0.00000	0.00000	0.00000
18	0.31250	0.81250	0.31250	0,0,0	0.00000	0.00000	0.00000
19	0.68750	0.18750	0.31250	0,0,0	0.00000	0.00000	0.00000
20	0.68750	0.81250	0.68750	0,0,0	0.00000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
21	0.31250	0.68750	0.18750	0,0,0	0.00000	0.00000	0.00000
22	0.31250	0.31250	0.81250	0,0,0	0.00000	0.00000	0.00000
23	0.68750	0.68750	0.81250	0,0,0	0.00000	0.00000	0.00000
24	0.68750	0.31250	0.18750	0,0,0	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
25	0.81250	0.18750	0.18750	0,0,0	0.00000	0.00000	0.00000
26	0.81250	0.81250	0.81250	0,0,0	0.00000	0.00000	0.00000
27	0.18750	0.18750	0.81250	0,0,0	0.00000	0.00000	0.00000
28	0.18750	0.81250	0.18750	0,0,0	0.00000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
29	0.81250	0.68750	0.68750	0,0,0	0.00000	0.00000	0.00000
30	0.81250	0.31250	0.31250	0,0,0	0.00000	0.00000	0.00000
31	0.18750	0.68750	0.31250	0,0,0	0.00000	0.00000	0.00000
32	0.18750	0.31250	0.68750	0,0,0	0.00000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ti1_1:

Atom	x	y	z
1	0.31250	0.06250	0.31250
2	0.31250	0.93750	0.68750
3	0.68750	0.06250	0.68750
4	0.68750	0.93750	0.31250
5	0.31250	0.31250	0.06250
6	0.06250	0.31250	0.31250
7	0.93750	0.31250	0.68750
8	0.68750	0.68750	0.06250
9	0.93750	0.68750	0.31250
10	0.31250	0.68750	0.93750
11	0.06250	0.68750	0.68750
12	0.68750	0.31250	0.93750
(0,1/2,1/2) + set click here to show and hide
13	0.31250	0.56250	0.81250
14	0.31250	0.43750	0.18750
15	0.68750	0.56250	0.18750
16	0.68750	0.43750	0.81250
17	0.31250	0.81250	0.56250
18	0.06250	0.81250	0.81250
19	0.93750	0.81250	0.18750
20	0.68750	0.18750	0.56250
21	0.93750	0.18750	0.81250
22	0.31250	0.18750	0.43750
23	0.06250	0.18750	0.18750
24	0.68750	0.81250	0.43750
(1/2,0,1/2) + set click here to show and hide
25	0.81250	0.06250	0.81250
26	0.81250	0.93750	0.18750
27	0.18750	0.06250	0.18750
28	0.18750	0.93750	0.81250
29	0.81250	0.31250	0.56250
30	0.56250	0.31250	0.81250
31	0.43750	0.31250	0.18750
32	0.18750	0.68750	0.56250
33	0.43750	0.68750	0.81250
34	0.81250	0.68750	0.43750
35	0.56250	0.68750	0.18750
36	0.18750	0.31250	0.43750
(1/2,1/2,0) + set click here to show and hide
37	0.81250	0.56250	0.31250
38	0.81250	0.43750	0.68750
39	0.18750	0.56250	0.68750
40	0.18750	0.43750	0.31250
41	0.81250	0.81250	0.06250
42	0.56250	0.81250	0.31250
43	0.43750	0.81250	0.68750
44	0.18750	0.18750	0.06250
45	0.43750	0.18750	0.31250
46	0.81250	0.18750	0.93750
47	0.56250	0.18750	0.68750
48	0.18750	0.81250	0.93750
(0,0,1/2)' + set click here to show and hide
49	0.31250	0.06250	0.81250
50	0.31250	0.93750	0.18750
51	0.68750	0.06250	0.18750
52	0.68750	0.93750	0.81250
53	0.31250	0.31250	0.56250
54	0.06250	0.31250	0.81250
55	0.93750	0.31250	0.18750
56	0.68750	0.68750	0.56250
57	0.93750	0.68750	0.81250
58	0.31250	0.68750	0.43750
59	0.06250	0.68750	0.18750
60	0.68750	0.31250	0.43750
(0,1/2,0)' + set click here to show and hide
61	0.31250	0.56250	0.31250
62	0.31250	0.43750	0.68750
63	0.68750	0.56250	0.68750
64	0.68750	0.43750	0.31250
65	0.31250	0.81250	0.06250
66	0.06250	0.81250	0.31250
67	0.93750	0.81250	0.68750
68	0.68750	0.18750	0.06250
69	0.93750	0.18750	0.31250
70	0.31250	0.18750	0.93750
71	0.06250	0.18750	0.68750
72	0.68750	0.81250	0.93750
(1/2,0,0)' + set click here to show and hide
73	0.81250	0.06250	0.31250
74	0.81250	0.93750	0.68750
75	0.18750	0.06250	0.68750
76	0.18750	0.93750	0.31250
77	0.81250	0.31250	0.06250
78	0.56250	0.31250	0.31250
79	0.43750	0.31250	0.68750
80	0.18750	0.68750	0.06250
81	0.43750	0.68750	0.31250
82	0.81250	0.68750	0.93750
83	0.56250	0.68750	0.68750
84	0.18750	0.31250	0.93750
(1/2,1/2,1/2)' + set click here to show and hide
85	0.81250	0.56250	0.81250
86	0.81250	0.43750	0.18750
87	0.18750	0.56250	0.18750
88	0.18750	0.43750	0.81250
89	0.81250	0.81250	0.56250
90	0.56250	0.81250	0.81250
91	0.43750	0.81250	0.18750
92	0.18750	0.18750	0.56250
93	0.43750	0.18750	0.81250
94	0.81250	0.18750	0.43750
95	0.56250	0.18750	0.18750
96	0.18750	0.81250	0.43750

Set of atoms in the unit cell related by symmetry with the atom Ti1_2:

Atom	x	y	z
1	0.06250	0.93750	0.43750
2	0.06250	0.06250	0.56250
3	0.93750	0.93750	0.56250
4	0.93750	0.06250	0.43750
(0,1/2,1/2) + set click here to show and hide
5	0.06250	0.43750	0.93750
6	0.06250	0.56250	0.06250
7	0.93750	0.43750	0.06250
8	0.93750	0.56250	0.93750
(1/2,0,1/2) + set click here to show and hide
9	0.56250	0.93750	0.93750
10	0.56250	0.06250	0.06250
11	0.43750	0.93750	0.06250
12	0.43750	0.06250	0.93750
(1/2,1/2,0) + set click here to show and hide
13	0.56250	0.43750	0.43750
14	0.56250	0.56250	0.56250
15	0.43750	0.43750	0.56250
16	0.43750	0.56250	0.43750
(0,0,1/2)' + set click here to show and hide
17	0.06250	0.93750	0.93750
18	0.06250	0.06250	0.06250
19	0.93750	0.93750	0.06250
20	0.93750	0.06250	0.93750
(0,1/2,0)' + set click here to show and hide
21	0.06250	0.43750	0.43750
22	0.06250	0.56250	0.56250
23	0.93750	0.43750	0.56250
24	0.93750	0.56250	0.43750
(1/2,0,0)' + set click here to show and hide
25	0.56250	0.93750	0.43750
26	0.56250	0.06250	0.56250
27	0.43750	0.93750	0.56250
28	0.43750	0.06250	0.43750
(1/2,1/2,1/2)' + set click here to show and hide
29	0.56250	0.43750	0.93750
30	0.56250	0.56250	0.06250
31	0.43750	0.43750	0.06250
32	0.43750	0.56250	0.93750

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.12500	0.87500	0.12500
2	0.12500	0.12500	0.87500
3	0.87500	0.87500	0.87500
4	0.87500	0.12500	0.12500
(0,1/2,1/2) + set click here to show and hide
5	0.12500	0.37500	0.62500
6	0.12500	0.62500	0.37500
7	0.87500	0.37500	0.37500
8	0.87500	0.62500	0.62500
(1/2,0,1/2) + set click here to show and hide
9	0.62500	0.87500	0.62500
10	0.62500	0.12500	0.37500
11	0.37500	0.87500	0.37500
12	0.37500	0.12500	0.62500
(1/2,1/2,0) + set click here to show and hide
13	0.62500	0.37500	0.12500
14	0.62500	0.62500	0.87500
15	0.37500	0.37500	0.87500
16	0.37500	0.62500	0.12500
(0,0,1/2)' + set click here to show and hide
17	0.12500	0.87500	0.62500
18	0.12500	0.12500	0.37500
19	0.87500	0.87500	0.37500
20	0.87500	0.12500	0.62500
(0,1/2,0)' + set click here to show and hide
21	0.12500	0.37500	0.12500
22	0.12500	0.62500	0.87500
23	0.87500	0.37500	0.87500
24	0.87500	0.62500	0.12500
(1/2,0,0)' + set click here to show and hide
25	0.62500	0.87500	0.12500
26	0.62500	0.12500	0.87500
27	0.37500	0.87500	0.87500
28	0.37500	0.12500	0.12500
(1/2,1/2,1/2)' + set click here to show and hide
29	0.62500	0.37500	0.62500
30	0.62500	0.62500	0.37500
31	0.37500	0.37500	0.37500
32	0.37500	0.62500	0.62500

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.50000	0.00000	0.25000
2	0.25000	0.50000	0.00000
3	0.00000	0.25000	0.50000
(0,1/2,1/2) + set click here to show and hide
4	0.50000	0.50000	0.75000
5	0.25000	0.00000	0.50000
6	0.00000	0.75000	0.00000
(1/2,0,1/2) + set click here to show and hide
7	0.00000	0.00000	0.75000
8	0.75000	0.50000	0.50000
9	0.50000	0.25000	0.00000
(1/2,1/2,0) + set click here to show and hide
10	0.00000	0.50000	0.25000
11	0.75000	0.00000	0.00000
12	0.50000	0.75000	0.50000
(0,0,1/2)' + set click here to show and hide
13	0.50000	0.00000	0.75000
14	0.25000	0.50000	0.50000
15	0.00000	0.25000	0.00000
(0,1/2,0)' + set click here to show and hide
16	0.50000	0.50000	0.25000
17	0.25000	0.00000	0.00000
18	0.00000	0.75000	0.50000
(1/2,0,0)' + set click here to show and hide
19	0.00000	0.00000	0.25000
20	0.75000	0.50000	0.00000
21	0.50000	0.25000	0.50000
(1/2,1/2,1/2)' + set click here to show and hide
22	0.00000	0.50000	0.75000
23	0.75000	0.00000	0.50000
24	0.50000	0.75000	0.00000

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.25000	0.25000	0.25000
(0,1/2,1/2) + set click here to show and hide
2	0.25000	0.75000	0.75000
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.25000	0.75000
(1/2,1/2,0) + set click here to show and hide
4	0.75000	0.75000	0.25000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.25000	0.75000
(0,1/2,0)' + set click here to show and hide
6	0.25000	0.75000	0.25000
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.25000	0.25000
(1/2,1/2,1/2)' + set click here to show and hide
8	0.75000	0.75000	0.75000

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.27565	0.87500	0.12500
2	0.27565	0.12500	0.87500
3	0.72435	0.87500	0.87500
4	0.72435	0.12500	0.12500
5	0.12500	0.27565	0.87500
6	0.87500	0.12500	0.27565
7	0.12500	0.12500	0.72435
8	0.87500	0.72435	0.87500
9	0.12500	0.87500	0.27565
10	0.12500	0.72435	0.12500
11	0.87500	0.87500	0.72435
12	0.87500	0.27565	0.12500
(0,1/2,1/2) + set click here to show and hide
13	0.27565	0.37500	0.62500
14	0.27565	0.62500	0.37500
15	0.72435	0.37500	0.37500
16	0.72435	0.62500	0.62500
17	0.12500	0.77565	0.37500
18	0.87500	0.62500	0.77565
19	0.12500	0.62500	0.22435
20	0.87500	0.22435	0.37500
21	0.12500	0.37500	0.77565
22	0.12500	0.22435	0.62500
23	0.87500	0.37500	0.22435
24	0.87500	0.77565	0.62500
(1/2,0,1/2) + set click here to show and hide
25	0.77565	0.87500	0.62500
26	0.77565	0.12500	0.37500
27	0.22435	0.87500	0.37500
28	0.22435	0.12500	0.62500
29	0.62500	0.27565	0.37500
30	0.37500	0.12500	0.77565
31	0.62500	0.12500	0.22435
32	0.37500	0.72435	0.37500
33	0.62500	0.87500	0.77565
34	0.62500	0.72435	0.62500
35	0.37500	0.87500	0.22435
36	0.37500	0.27565	0.62500
(1/2,1/2,0) + set click here to show and hide
37	0.77565	0.37500	0.12500
38	0.77565	0.62500	0.87500
39	0.22435	0.37500	0.87500
40	0.22435	0.62500	0.12500
41	0.62500	0.77565	0.87500
42	0.37500	0.62500	0.27565
43	0.62500	0.62500	0.72435
44	0.37500	0.22435	0.87500
45	0.62500	0.37500	0.27565
46	0.62500	0.22435	0.12500
47	0.37500	0.37500	0.72435
48	0.37500	0.77565	0.12500
(0,0,1/2)' + set click here to show and hide
49	0.27565	0.87500	0.62500
50	0.27565	0.12500	0.37500
51	0.72435	0.87500	0.37500
52	0.72435	0.12500	0.62500
53	0.12500	0.27565	0.37500
54	0.87500	0.12500	0.77565
55	0.12500	0.12500	0.22435
56	0.87500	0.72435	0.37500
57	0.12500	0.87500	0.77565
58	0.12500	0.72435	0.62500
59	0.87500	0.87500	0.22435
60	0.87500	0.27565	0.62500
(0,1/2,0)' + set click here to show and hide
61	0.27565	0.37500	0.12500
62	0.27565	0.62500	0.87500
63	0.72435	0.37500	0.87500
64	0.72435	0.62500	0.12500
65	0.12500	0.77565	0.87500
66	0.87500	0.62500	0.27565
67	0.12500	0.62500	0.72435
68	0.87500	0.22435	0.87500
69	0.12500	0.37500	0.27565
70	0.12500	0.22435	0.12500
71	0.87500	0.37500	0.72435
72	0.87500	0.77565	0.12500
(1/2,0,0)' + set click here to show and hide
73	0.77565	0.87500	0.12500
74	0.77565	0.12500	0.87500
75	0.22435	0.87500	0.87500
76	0.22435	0.12500	0.12500
77	0.62500	0.27565	0.87500
78	0.37500	0.12500	0.27565
79	0.62500	0.12500	0.72435
80	0.37500	0.72435	0.87500
81	0.62500	0.87500	0.27565
82	0.62500	0.72435	0.12500
83	0.37500	0.87500	0.72435
84	0.37500	0.27565	0.12500
(1/2,1/2,1/2)' + set click here to show and hide
85	0.77565	0.37500	0.62500
86	0.77565	0.62500	0.37500
87	0.22435	0.37500	0.37500
88	0.22435	0.62500	0.62500
89	0.62500	0.77565	0.37500
90	0.37500	0.62500	0.77565
91	0.62500	0.62500	0.22435
92	0.37500	0.22435	0.37500
93	0.62500	0.37500	0.77565
94	0.62500	0.22435	0.62500
95	0.37500	0.37500	0.22435
96	0.37500	0.77565	0.62500

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.12500	0.02565	0.12500
2	0.12500	0.97435	0.87500
3	0.87500	0.02565	0.87500
4	0.87500	0.97435	0.12500
5	0.12500	0.12500	0.02565
6	0.02565	0.12500	0.12500
7	0.97435	0.12500	0.87500
8	0.87500	0.87500	0.02565
9	0.97435	0.87500	0.12500
10	0.12500	0.87500	0.97435
11	0.02565	0.87500	0.87500
12	0.87500	0.12500	0.97435
(0,1/2,1/2) + set click here to show and hide
13	0.12500	0.52565	0.62500
14	0.12500	0.47435	0.37500
15	0.87500	0.52565	0.37500
16	0.87500	0.47435	0.62500
17	0.12500	0.62500	0.52565
18	0.02565	0.62500	0.62500
19	0.97435	0.62500	0.37500
20	0.87500	0.37500	0.52565
21	0.97435	0.37500	0.62500
22	0.12500	0.37500	0.47435
23	0.02565	0.37500	0.37500
24	0.87500	0.62500	0.47435
(1/2,0,1/2) + set click here to show and hide
25	0.62500	0.02565	0.62500
26	0.62500	0.97435	0.37500
27	0.37500	0.02565	0.37500
28	0.37500	0.97435	0.62500
29	0.62500	0.12500	0.52565
30	0.52565	0.12500	0.62500
31	0.47435	0.12500	0.37500
32	0.37500	0.87500	0.52565
33	0.47435	0.87500	0.62500
34	0.62500	0.87500	0.47435
35	0.52565	0.87500	0.37500
36	0.37500	0.12500	0.47435
(1/2,1/2,0) + set click here to show and hide
37	0.62500	0.52565	0.12500
38	0.62500	0.47435	0.87500
39	0.37500	0.52565	0.87500
40	0.37500	0.47435	0.12500
41	0.62500	0.62500	0.02565
42	0.52565	0.62500	0.12500
43	0.47435	0.62500	0.87500
44	0.37500	0.37500	0.02565
45	0.47435	0.37500	0.12500
46	0.62500	0.37500	0.97435
47	0.52565	0.37500	0.87500
48	0.37500	0.62500	0.97435
(0,0,1/2)' + set click here to show and hide
49	0.12500	0.02565	0.62500
50	0.12500	0.97435	0.37500
51	0.87500	0.02565	0.37500
52	0.87500	0.97435	0.62500
53	0.12500	0.12500	0.52565
54	0.02565	0.12500	0.62500
55	0.97435	0.12500	0.37500
56	0.87500	0.87500	0.52565
57	0.97435	0.87500	0.62500
58	0.12500	0.87500	0.47435
59	0.02565	0.87500	0.37500
60	0.87500	0.12500	0.47435
(0,1/2,0)' + set click here to show and hide
61	0.12500	0.52565	0.12500
62	0.12500	0.47435	0.87500
63	0.87500	0.52565	0.87500
64	0.87500	0.47435	0.12500
65	0.12500	0.62500	0.02565
66	0.02565	0.62500	0.12500
67	0.97435	0.62500	0.87500
68	0.87500	0.37500	0.02565
69	0.97435	0.37500	0.12500
70	0.12500	0.37500	0.97435
71	0.02565	0.37500	0.87500
72	0.87500	0.62500	0.97435
(1/2,0,0)' + set click here to show and hide
73	0.62500	0.02565	0.12500
74	0.62500	0.97435	0.87500
75	0.37500	0.02565	0.87500
76	0.37500	0.97435	0.12500
77	0.62500	0.12500	0.02565
78	0.52565	0.12500	0.12500
79	0.47435	0.12500	0.87500
80	0.37500	0.87500	0.02565
81	0.47435	0.87500	0.12500
82	0.62500	0.87500	0.97435
83	0.52565	0.87500	0.87500
84	0.37500	0.12500	0.97435
(1/2,1/2,1/2)' + set click here to show and hide
85	0.62500	0.52565	0.62500
86	0.62500	0.47435	0.37500
87	0.37500	0.52565	0.37500
88	0.37500	0.47435	0.62500
89	0.62500	0.62500	0.52565
90	0.52565	0.62500	0.62500
91	0.47435	0.62500	0.37500
92	0.37500	0.37500	0.52565
93	0.47435	0.37500	0.62500
94	0.62500	0.37500	0.47435
95	0.52565	0.37500	0.37500
96	0.37500	0.62500	0.47435

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.50000	0.15065	0.25000
2	0.50000	0.84935	0.75000
3	0.25000	0.50000	0.15065
4	0.15065	0.25000	0.50000
5	0.84935	0.25000	0.50000
6	0.25000	0.50000	0.84935
7	0.50000	0.25000	0.84935
8	0.50000	0.75000	0.15065
9	0.75000	0.84935	0.50000
10	0.15065	0.50000	0.75000
11	0.84935	0.50000	0.75000
12	0.75000	0.15065	0.50000
(0,1/2,1/2) + set click here to show and hide
13	0.50000	0.65065	0.75000
14	0.50000	0.34935	0.25000
15	0.25000	0.00000	0.65065
16	0.15065	0.75000	0.00000
17	0.84935	0.75000	0.00000
18	0.25000	0.00000	0.34935
19	0.50000	0.75000	0.34935
20	0.50000	0.25000	0.65065
21	0.75000	0.34935	0.00000
22	0.15065	0.00000	0.25000
23	0.84935	0.00000	0.25000
24	0.75000	0.65065	0.00000
(1/2,0,1/2) + set click here to show and hide
25	0.00000	0.15065	0.75000
26	0.00000	0.84935	0.25000
27	0.75000	0.50000	0.65065
28	0.65065	0.25000	0.00000
29	0.34935	0.25000	0.00000
30	0.75000	0.50000	0.34935
31	0.00000	0.25000	0.34935
32	0.00000	0.75000	0.65065
33	0.25000	0.84935	0.00000
34	0.65065	0.50000	0.25000
35	0.34935	0.50000	0.25000
36	0.25000	0.15065	0.00000
(1/2,1/2,0) + set click here to show and hide
37	0.00000	0.65065	0.25000
38	0.00000	0.34935	0.75000
39	0.75000	0.00000	0.15065
40	0.65065	0.75000	0.50000
41	0.34935	0.75000	0.50000
42	0.75000	0.00000	0.84935
43	0.00000	0.75000	0.84935
44	0.00000	0.25000	0.15065
45	0.25000	0.34935	0.50000
46	0.65065	0.00000	0.75000
47	0.34935	0.00000	0.75000
48	0.25000	0.65065	0.50000
(0,0,1/2)' + set click here to show and hide
49	0.50000	0.15065	0.75000
50	0.50000	0.84935	0.25000
51	0.25000	0.50000	0.65065
52	0.15065	0.25000	0.00000
53	0.84935	0.25000	0.00000
54	0.25000	0.50000	0.34935
55	0.50000	0.25000	0.34935
56	0.50000	0.75000	0.65065
57	0.75000	0.84935	0.00000
58	0.15065	0.50000	0.25000
59	0.84935	0.50000	0.25000
60	0.75000	0.15065	0.00000
(0,1/2,0)' + set click here to show and hide
61	0.50000	0.65065	0.25000
62	0.50000	0.34935	0.75000
63	0.25000	0.00000	0.15065
64	0.15065	0.75000	0.50000
65	0.84935	0.75000	0.50000
66	0.25000	0.00000	0.84935
67	0.50000	0.75000	0.84935
68	0.50000	0.25000	0.15065
69	0.75000	0.34935	0.50000
70	0.15065	0.00000	0.75000
71	0.84935	0.00000	0.75000
72	0.75000	0.65065	0.50000
(1/2,0,0)' + set click here to show and hide
73	0.00000	0.15065	0.25000
74	0.00000	0.84935	0.75000
75	0.75000	0.50000	0.15065
76	0.65065	0.25000	0.50000
77	0.34935	0.25000	0.50000
78	0.75000	0.50000	0.84935
79	0.00000	0.25000	0.84935
80	0.00000	0.75000	0.15065
81	0.25000	0.84935	0.50000
82	0.65065	0.50000	0.75000
83	0.34935	0.50000	0.75000
84	0.25000	0.15065	0.50000
(1/2,1/2,1/2)' + set click here to show and hide
85	0.00000	0.65065	0.75000
86	0.00000	0.34935	0.25000
87	0.75000	0.00000	0.65065
88	0.65065	0.75000	0.00000
89	0.34935	0.75000	0.00000
90	0.75000	0.00000	0.34935
91	0.00000	0.75000	0.34935
92	0.00000	0.25000	0.65065
93	0.25000	0.34935	0.00000
94	0.65065	0.00000	0.25000
95	0.34935	0.00000	0.25000
96	0.25000	0.65065	0.00000

Set of atoms in the unit cell related by symmetry with the atom O2_4:

Atom	x	y	z
1	0.50000	0.59935	0.50000
2	0.50000	0.40065	0.50000
3	0.50000	0.50000	0.59935
4	0.59935	0.50000	0.50000
5	0.40065	0.50000	0.50000
6	0.50000	0.50000	0.40065
(0,1/2,1/2) + set click here to show and hide
7	0.50000	0.09935	0.00000
8	0.50000	0.90065	0.00000
9	0.50000	0.00000	0.09935
10	0.59935	0.00000	0.00000
11	0.40065	0.00000	0.00000
12	0.50000	0.00000	0.90065
(1/2,0,1/2) + set click here to show and hide
13	0.00000	0.59935	0.00000
14	0.00000	0.40065	0.00000
15	0.00000	0.50000	0.09935
16	0.09935	0.50000	0.00000
17	0.90065	0.50000	0.00000
18	0.00000	0.50000	0.90065
(1/2,1/2,0) + set click here to show and hide
19	0.00000	0.09935	0.50000
20	0.00000	0.90065	0.50000
21	0.00000	0.00000	0.59935
22	0.09935	0.00000	0.50000
23	0.90065	0.00000	0.50000
24	0.00000	0.00000	0.40065
(0,0,1/2)' + set click here to show and hide
25	0.50000	0.59935	0.00000
26	0.50000	0.40065	0.00000
27	0.50000	0.50000	0.09935
28	0.59935	0.50000	0.00000
29	0.40065	0.50000	0.00000
30	0.50000	0.50000	0.90065
(0,1/2,0)' + set click here to show and hide
31	0.50000	0.09935	0.50000
32	0.50000	0.90065	0.50000
33	0.50000	0.00000	0.59935
34	0.59935	0.00000	0.50000
35	0.40065	0.00000	0.50000
36	0.50000	0.00000	0.40065
(1/2,0,0)' + set click here to show and hide
37	0.00000	0.59935	0.50000
38	0.00000	0.40065	0.50000
39	0.00000	0.50000	0.59935
40	0.09935	0.50000	0.50000
41	0.90065	0.50000	0.50000
42	0.00000	0.50000	0.40065
(1/2,1/2,1/2)' + set click here to show and hide
43	0.00000	0.09935	0.00000
44	0.00000	0.90065	0.00000
45	0.00000	0.00000	0.09935
46	0.09935	0.00000	0.00000
47	0.90065	0.00000	0.00000
48	0.00000	0.00000	0.90065

Set of atoms in the unit cell related by symmetry with the atom O2_5:

Atom	x	y	z
1	0.09935	0.25000	0.25000
2	0.90065	0.25000	0.75000
3	0.25000	0.09935	0.25000
4	0.25000	0.25000	0.09935
5	0.75000	0.25000	0.90065
6	0.75000	0.90065	0.25000
(0,1/2,1/2) + set click here to show and hide
7	0.09935	0.75000	0.75000
8	0.90065	0.75000	0.25000
9	0.25000	0.59935	0.75000
10	0.25000	0.75000	0.59935
11	0.75000	0.75000	0.40065
12	0.75000	0.40065	0.75000
(1/2,0,1/2) + set click here to show and hide
13	0.59935	0.25000	0.75000
14	0.40065	0.25000	0.25000
15	0.75000	0.09935	0.75000
16	0.75000	0.25000	0.59935
17	0.25000	0.25000	0.40065
18	0.25000	0.90065	0.75000
(1/2,1/2,0) + set click here to show and hide
19	0.59935	0.75000	0.25000
20	0.40065	0.75000	0.75000
21	0.75000	0.59935	0.25000
22	0.75000	0.75000	0.09935
23	0.25000	0.75000	0.90065
24	0.25000	0.40065	0.25000
(0,0,1/2)' + set click here to show and hide
25	0.09935	0.25000	0.75000
26	0.90065	0.25000	0.25000
27	0.25000	0.09935	0.75000
28	0.25000	0.25000	0.59935
29	0.75000	0.25000	0.40065
30	0.75000	0.90065	0.75000
(0,1/2,0)' + set click here to show and hide
31	0.09935	0.75000	0.25000
32	0.90065	0.75000	0.75000
33	0.25000	0.59935	0.25000
34	0.25000	0.75000	0.09935
35	0.75000	0.75000	0.90065
36	0.75000	0.40065	0.25000
(1/2,0,0)' + set click here to show and hide
37	0.59935	0.25000	0.25000
38	0.40065	0.25000	0.75000
39	0.75000	0.09935	0.25000
40	0.75000	0.25000	0.09935
41	0.25000	0.25000	0.90065
42	0.25000	0.90065	0.25000
(1/2,1/2,1/2)' + set click here to show and hide
43	0.59935	0.75000	0.75000
44	0.40065	0.75000	0.25000
45	0.75000	0.59935	0.75000
46	0.75000	0.75000	0.59935
47	0.25000	0.75000	0.40065
48	0.25000	0.40065	0.75000

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Gd1_1	Gd	0.06250	0.81250	0.06250	96	m_x,0,-m_x	4.95	0.0	-4.95	7.00
Gd1_2	Gd	0.31250	0.18750	0.18750	32	0,0,0	0.0	0.0	0.0	0.00

[Show all magnetic atoms in unit cell and their moment relations]

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Set of atoms in the unit cell related by symmetry with the magnetic atom Gd1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.06250	0.81250	0.06250	m_x,0,-m_x	4.95000	0.00000	-4.95000
2	0.06250	0.18750	0.93750	m_x,0,m_x	4.95000	0.00000	4.95000
3	0.93750	0.81250	0.93750	-m_x,0,m_x	-4.95000	0.00000	4.95000
4	0.93750	0.18750	0.06250	-m_x,0,-m_x	-4.95000	0.00000	-4.95000
5	0.06250	0.06250	0.81250	-m_x,m_x,0	-4.95000	4.95000	0.00000
6	0.81250	0.06250	0.06250	0,-m_x,m_x	0.00000	-4.95000	4.95000
7	0.18750	0.06250	0.93750	0,-m_x,-m_x	0.00000	-4.95000	-4.95000
8	0.93750	0.93750	0.81250	m_x,-m_x,0	4.95000	-4.95000	0.00000
9	0.18750	0.93750	0.06250	0,m_x,m_x	0.00000	4.95000	4.95000
10	0.06250	0.93750	0.18750	-m_x,-m_x,0	-4.95000	-4.95000	0.00000
11	0.81250	0.93750	0.93750	0,m_x,-m_x	0.00000	4.95000	-4.95000
12	0.93750	0.06250	0.18750	m_x,m_x,0	4.95000	4.95000	0.00000
(0,1/2,1/2) + set click here to show and hide
13	0.06250	0.31250	0.56250	m_x,0,-m_x	4.95000	0.00000	-4.95000
14	0.06250	0.68750	0.43750	m_x,0,m_x	4.95000	0.00000	4.95000
15	0.93750	0.31250	0.43750	-m_x,0,m_x	-4.95000	0.00000	4.95000
16	0.93750	0.68750	0.56250	-m_x,0,-m_x	-4.95000	0.00000	-4.95000
17	0.06250	0.56250	0.31250	-m_x,m_x,0	-4.95000	4.95000	0.00000
18	0.81250	0.56250	0.56250	0,-m_x,m_x	0.00000	-4.95000	4.95000
19	0.18750	0.56250	0.43750	0,-m_x,-m_x	0.00000	-4.95000	-4.95000
20	0.93750	0.43750	0.31250	m_x,-m_x,0	4.95000	-4.95000	0.00000
21	0.18750	0.43750	0.56250	0,m_x,m_x	0.00000	4.95000	4.95000
22	0.06250	0.43750	0.68750	-m_x,-m_x,0	-4.95000	-4.95000	0.00000
23	0.81250	0.43750	0.43750	0,m_x,-m_x	0.00000	4.95000	-4.95000
24	0.93750	0.56250	0.68750	m_x,m_x,0	4.95000	4.95000	0.00000
(1/2,0,1/2) + set click here to show and hide
25	0.56250	0.81250	0.56250	m_x,0,-m_x	4.95000	0.00000	-4.95000
26	0.56250	0.18750	0.43750	m_x,0,m_x	4.95000	0.00000	4.95000
27	0.43750	0.81250	0.43750	-m_x,0,m_x	-4.95000	0.00000	4.95000
28	0.43750	0.18750	0.56250	-m_x,0,-m_x	-4.95000	0.00000	-4.95000
29	0.56250	0.06250	0.31250	-m_x,m_x,0	-4.95000	4.95000	0.00000
30	0.31250	0.06250	0.56250	0,-m_x,m_x	0.00000	-4.95000	4.95000
31	0.68750	0.06250	0.43750	0,-m_x,-m_x	0.00000	-4.95000	-4.95000
32	0.43750	0.93750	0.31250	m_x,-m_x,0	4.95000	-4.95000	0.00000
33	0.68750	0.93750	0.56250	0,m_x,m_x	0.00000	4.95000	4.95000
34	0.56250	0.93750	0.68750	-m_x,-m_x,0	-4.95000	-4.95000	0.00000
35	0.31250	0.93750	0.43750	0,m_x,-m_x	0.00000	4.95000	-4.95000
36	0.43750	0.06250	0.68750	m_x,m_x,0	4.95000	4.95000	0.00000
(1/2,1/2,0) + set click here to show and hide
37	0.56250	0.31250	0.06250	m_x,0,-m_x	4.95000	0.00000	-4.95000
38	0.56250	0.68750	0.93750	m_x,0,m_x	4.95000	0.00000	4.95000
39	0.43750	0.31250	0.93750	-m_x,0,m_x	-4.95000	0.00000	4.95000
40	0.43750	0.68750	0.06250	-m_x,0,-m_x	-4.95000	0.00000	-4.95000
41	0.56250	0.56250	0.81250	-m_x,m_x,0	-4.95000	4.95000	0.00000
42	0.31250	0.56250	0.06250	0,-m_x,m_x	0.00000	-4.95000	4.95000
43	0.68750	0.56250	0.93750	0,-m_x,-m_x	0.00000	-4.95000	-4.95000
44	0.43750	0.43750	0.81250	m_x,-m_x,0	4.95000	-4.95000	0.00000
45	0.68750	0.43750	0.06250	0,m_x,m_x	0.00000	4.95000	4.95000
46	0.56250	0.43750	0.18750	-m_x,-m_x,0	-4.95000	-4.95000	0.00000
47	0.31250	0.43750	0.93750	0,m_x,-m_x	0.00000	4.95000	-4.95000
48	0.43750	0.56250	0.18750	m_x,m_x,0	4.95000	4.95000	0.00000
(0,0,1/2)' + set click here to show and hide
49	0.06250	0.81250	0.56250	-m_x,0,m_x	-4.95000	0.00000	4.95000
50	0.06250	0.18750	0.43750	-m_x,0,-m_x	-4.95000	0.00000	-4.95000
51	0.93750	0.81250	0.43750	m_x,0,-m_x	4.95000	0.00000	-4.95000
52	0.93750	0.18750	0.56250	m_x,0,m_x	4.95000	0.00000	4.95000
53	0.06250	0.06250	0.31250	m_x,-m_x,0	4.95000	-4.95000	0.00000
54	0.81250	0.06250	0.56250	0,m_x,-m_x	0.00000	4.95000	-4.95000
55	0.18750	0.06250	0.43750	0,m_x,m_x	0.00000	4.95000	4.95000
56	0.93750	0.93750	0.31250	-m_x,m_x,0	-4.95000	4.95000	0.00000
57	0.18750	0.93750	0.56250	0,-m_x,-m_x	0.00000	-4.95000	-4.95000
58	0.06250	0.93750	0.68750	m_x,m_x,0	4.95000	4.95000	0.00000
59	0.81250	0.93750	0.43750	0,-m_x,m_x	0.00000	-4.95000	4.95000
60	0.93750	0.06250	0.68750	-m_x,-m_x,0	-4.95000	-4.95000	0.00000
(0,1/2,0)' + set click here to show and hide
61	0.06250	0.31250	0.06250	-m_x,0,m_x	-4.95000	0.00000	4.95000
62	0.06250	0.68750	0.93750	-m_x,0,-m_x	-4.95000	0.00000	-4.95000
63	0.93750	0.31250	0.93750	m_x,0,-m_x	4.95000	0.00000	-4.95000
64	0.93750	0.68750	0.06250	m_x,0,m_x	4.95000	0.00000	4.95000
65	0.06250	0.56250	0.81250	m_x,-m_x,0	4.95000	-4.95000	0.00000
66	0.81250	0.56250	0.06250	0,m_x,-m_x	0.00000	4.95000	-4.95000
67	0.18750	0.56250	0.93750	0,m_x,m_x	0.00000	4.95000	4.95000
68	0.93750	0.43750	0.81250	-m_x,m_x,0	-4.95000	4.95000	0.00000
69	0.18750	0.43750	0.06250	0,-m_x,-m_x	0.00000	-4.95000	-4.95000
70	0.06250	0.43750	0.18750	m_x,m_x,0	4.95000	4.95000	0.00000
71	0.81250	0.43750	0.93750	0,-m_x,m_x	0.00000	-4.95000	4.95000
72	0.93750	0.56250	0.18750	-m_x,-m_x,0	-4.95000	-4.95000	0.00000
(1/2,0,0)' + set click here to show and hide
73	0.56250	0.81250	0.06250	-m_x,0,m_x	-4.95000	0.00000	4.95000
74	0.56250	0.18750	0.93750	-m_x,0,-m_x	-4.95000	0.00000	-4.95000
75	0.43750	0.81250	0.93750	m_x,0,-m_x	4.95000	0.00000	-4.95000
76	0.43750	0.18750	0.06250	m_x,0,m_x	4.95000	0.00000	4.95000
77	0.56250	0.06250	0.81250	m_x,-m_x,0	4.95000	-4.95000	0.00000
78	0.31250	0.06250	0.06250	0,m_x,-m_x	0.00000	4.95000	-4.95000
79	0.68750	0.06250	0.93750	0,m_x,m_x	0.00000	4.95000	4.95000
80	0.43750	0.93750	0.81250	-m_x,m_x,0	-4.95000	4.95000	0.00000
81	0.68750	0.93750	0.06250	0,-m_x,-m_x	0.00000	-4.95000	-4.95000
82	0.56250	0.93750	0.18750	m_x,m_x,0	4.95000	4.95000	0.00000
83	0.31250	0.93750	0.93750	0,-m_x,m_x	0.00000	-4.95000	4.95000
84	0.43750	0.06250	0.18750	-m_x,-m_x,0	-4.95000	-4.95000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
85	0.56250	0.31250	0.56250	-m_x,0,m_x	-4.95000	0.00000	4.95000
86	0.56250	0.68750	0.43750	-m_x,0,-m_x	-4.95000	0.00000	-4.95000
87	0.43750	0.31250	0.43750	m_x,0,-m_x	4.95000	0.00000	-4.95000
88	0.43750	0.68750	0.56250	m_x,0,m_x	4.95000	0.00000	4.95000
89	0.56250	0.56250	0.31250	m_x,-m_x,0	4.95000	-4.95000	0.00000
90	0.31250	0.56250	0.56250	0,m_x,-m_x	0.00000	4.95000	-4.95000
91	0.68750	0.56250	0.43750	0,m_x,m_x	0.00000	4.95000	4.95000
92	0.43750	0.43750	0.31250	-m_x,m_x,0	-4.95000	4.95000	0.00000
93	0.68750	0.43750	0.56250	0,-m_x,-m_x	0.00000	-4.95000	-4.95000
94	0.56250	0.43750	0.68750	m_x,m_x,0	4.95000	4.95000	0.00000
95	0.31250	0.43750	0.43750	0,-m_x,m_x	0.00000	-4.95000	4.95000
96	0.43750	0.56250	0.68750	-m_x,-m_x,0	-4.95000	-4.95000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Gd1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.31250	0.18750	0.18750	0,0,0	0.00000	0.00000	0.00000
2	0.31250	0.81250	0.81250	0,0,0	0.00000	0.00000	0.00000
3	0.68750	0.18750	0.81250	0,0,0	0.00000	0.00000	0.00000
4	0.68750	0.81250	0.18750	0,0,0	0.00000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.31250	0.68750	0.68750	0,0,0	0.00000	0.00000	0.00000
6	0.31250	0.31250	0.31250	0,0,0	0.00000	0.00000	0.00000
7	0.68750	0.68750	0.31250	0,0,0	0.00000	0.00000	0.00000
8	0.68750	0.31250	0.68750	0,0,0	0.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.81250	0.18750	0.68750	0,0,0	0.00000	0.00000	0.00000
10	0.81250	0.81250	0.31250	0,0,0	0.00000	0.00000	0.00000
11	0.18750	0.18750	0.31250	0,0,0	0.00000	0.00000	0.00000
12	0.18750	0.81250	0.68750	0,0,0	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
13	0.81250	0.68750	0.18750	0,0,0	0.00000	0.00000	0.00000
14	0.81250	0.31250	0.81250	0,0,0	0.00000	0.00000	0.00000
15	0.18750	0.68750	0.81250	0,0,0	0.00000	0.00000	0.00000
16	0.18750	0.31250	0.18750	0,0,0	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
17	0.31250	0.18750	0.68750	0,0,0	0.00000	0.00000	0.00000
18	0.31250	0.81250	0.31250	0,0,0	0.00000	0.00000	0.00000
19	0.68750	0.18750	0.31250	0,0,0	0.00000	0.00000	0.00000
20	0.68750	0.81250	0.68750	0,0,0	0.00000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
21	0.31250	0.68750	0.18750	0,0,0	0.00000	0.00000	0.00000
22	0.31250	0.31250	0.81250	0,0,0	0.00000	0.00000	0.00000
23	0.68750	0.68750	0.81250	0,0,0	0.00000	0.00000	0.00000
24	0.68750	0.31250	0.18750	0,0,0	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
25	0.81250	0.18750	0.18750	0,0,0	0.00000	0.00000	0.00000
26	0.81250	0.81250	0.81250	0,0,0	0.00000	0.00000	0.00000
27	0.18750	0.18750	0.81250	0,0,0	0.00000	0.00000	0.00000
28	0.18750	0.81250	0.18750	0,0,0	0.00000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
29	0.81250	0.68750	0.68750	0,0,0	0.00000	0.00000	0.00000
30	0.81250	0.31250	0.31250	0,0,0	0.00000	0.00000	0.00000
31	0.18750	0.68750	0.31250	0,0,0	0.00000	0.00000	0.00000
32	0.18750	0.31250	0.68750	0,0,0	0.00000	0.00000	0.00000

[Hide]

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mL2-	4	1	special-2	primary	1

MAGNDATA: A Collection of magnetic structures with portable cif-type files

Gd₂Ti₂O₇ (#3.16)

MAGNDATA: A Collection of magnetic structures with portable cif-type files

Gd2Ti2O7 (#3.16)

Gd₂Ti₂O₇ (#3.16)