MAGNDATA - Collection of Magnetic Structures

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

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-y+1/2,x,z,+1	{ 4⁺₀₀₁ \| 1/2 0 0 }
3	y,-x+1/2,z,+1	{ 4^-₀₀₁ \| 0 1/2 0 }
4	-y+1/2,-x+1/2,-z,+1	{ 2_1-10 \| 1/2 1/2 0 }
5	y,x,-z,+1	{ 2₁₁₀ \| 0 }
6	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
7	x,-y+1/2,-z,+1	{ 2₁₀₀ \| 0 1/2 0 }
8	-x+1/2,y,-z,+1	{ 2₀₁₀ \| 1/2 0 0 }
9	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
10	y,-x+1/2,-z+1/2,+1	{ -4⁺₀₀₁ \| 0 1/2 1/2 }
11	-y+1/2,x,-z+1/2,+1	{ -4^-₀₀₁ \| 1/2 0 1/2 }
12	y,x,z+1/2,+1	{ m_1-10 \| 0 0 1/2 }
13	-y+1/2,-x+1/2,z+1/2,+1	{ m₁₁₀ \| 1/2 1/2 1/2 }
14	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
15	-x+1/2,y,z+1/2,+1	{ m₁₀₀ \| 1/2 0 1/2 }
16	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
(0,1/2,1/2) + set click here to show and hide
17	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
18	-y+1/2,x+1/2,z+1/2,+1	{ 4⁺₀₀₁ \| 1/2 1/2 1/2 }
19	y,-x,z+1/2,+1	{ 4^-₀₀₁ \| 0 0 1/2 }
20	-y+1/2,-x,-z+1/2,+1	{ 2_1-10 \| 1/2 0 1/2 }
21	y,x+1/2,-z+1/2,+1	{ 2₁₁₀ \| 0 1/2 1/2 }
22	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
23	x,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
24	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
25	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
26	y,-x,-z,+1	{ -4⁺₀₀₁ \| 0 }
27	-y+1/2,x+1/2,-z,+1	{ -4^-₀₀₁ \| 1/2 1/2 0 }
28	y,x+1/2,z,+1	{ m_1-10 \| 0 1/2 0 }
29	-y+1/2,-x,z,+1	{ m₁₁₀ \| 1/2 0 0 }
30	x,y+1/2,-z,+1	{ m₀₀₁ \| 0 1/2 0 }
31	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
32	x,-y,z,+1	{ m₀₁₀ \| 0 }
(1/2,0,1/2) + set click here to show and hide
33	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
34	-y,x,z+1/2,+1	{ 4⁺₀₀₁ \| 0 0 1/2 }
35	y+1/2,-x+1/2,z+1/2,+1	{ 4^-₀₀₁ \| 1/2 1/2 1/2 }
36	-y,-x+1/2,-z+1/2,+1	{ 2_1-10 \| 0 1/2 1/2 }
37	y+1/2,x,-z+1/2,+1	{ 2₁₁₀ \| 1/2 0 1/2 }
38	-x,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
39	x+1/2,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
40	-x,y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
41	-x,-y+1/2,-z,+1	{ -1 \| 0 1/2 0 }
42	y+1/2,-x+1/2,-z,+1	{ -4⁺₀₀₁ \| 1/2 1/2 0 }
43	-y,x,-z,+1	{ -4^-₀₀₁ \| 0 }
44	y+1/2,x,z,+1	{ m_1-10 \| 1/2 0 0 }
45	-y,-x+1/2,z,+1	{ m₁₁₀ \| 0 1/2 0 }
46	x+1/2,y,-z,+1	{ m₀₀₁ \| 1/2 0 0 }
47	-x,y,z,+1	{ m₁₀₀ \| 0 }
48	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
(1/2,1/2,0) + set click here to show and hide
49	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
50	-y,x+1/2,z,+1	{ 4⁺₀₀₁ \| 0 1/2 0 }
51	y+1/2,-x,z,+1	{ 4^-₀₀₁ \| 1/2 0 0 }
52	-y,-x,-z,+1	{ 2_1-10 \| 0 }
53	y+1/2,x+1/2,-z,+1	{ 2₁₁₀ \| 1/2 1/2 0 }
54	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
55	x+1/2,-y,-z,+1	{ 2₁₀₀ \| 1/2 0 0 }
56	-x,y+1/2,-z,+1	{ 2₀₁₀ \| 0 1/2 0 }
57	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
58	y+1/2,-x,-z+1/2,+1	{ -4⁺₀₀₁ \| 1/2 0 1/2 }
59	-y,x+1/2,-z+1/2,+1	{ -4^-₀₀₁ \| 0 1/2 1/2 }
60	y+1/2,x+1/2,z+1/2,+1	{ m_1-10 \| 1/2 1/2 1/2 }
61	-y,-x,z+1/2,+1	{ m₁₁₀ \| 0 0 1/2 }
62	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
63	-x,y+1/2,z+1/2,+1	{ m₁₀₀ \| 0 1/2 1/2 }
64	x+1/2,-y,z+1/2,+1	{ m₀₁₀ \| 1/2 0 1/2 }
(0,0,1/2)' + set click here to show and hide
65	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
66	-y+1/2,x,z+1/2,-1	{ 4'⁺₀₀₁ \| 1/2 0 1/2 }
67	y,-x+1/2,z+1/2,-1	{ 4'^-₀₀₁ \| 0 1/2 1/2 }
68	-y+1/2,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 1/2 1/2 1/2 }
69	y,x,-z+1/2,-1	{ 2'₁₁₀ \| 0 0 1/2 }
70	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
71	x,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 0 1/2 1/2 }
72	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
73	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
74	y,-x+1/2,-z,-1	{ -4'⁺₀₀₁ \| 0 1/2 0 }
75	-y+1/2,x,-z,-1	{ -4'^-₀₀₁ \| 1/2 0 0 }
76	y,x,z,-1	{ m'_1-10 \| 0 }
77	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }
78	x,y,-z,-1	{ m'₀₀₁ \| 0 }
79	-x+1/2,y,z,-1	{ m'₁₀₀ \| 1/2 0 0 }
80	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
(0,1/2,0)' + set click here to show and hide
81	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
82	-y+1/2,x+1/2,z,-1	{ 4'⁺₀₀₁ \| 1/2 1/2 0 }
83	y,-x,z,-1	{ 4'^-₀₀₁ \| 0 }
84	-y+1/2,-x,-z,-1	{ 2'_1-10 \| 1/2 0 0 }
85	y,x+1/2,-z,-1	{ 2'₁₁₀ \| 0 1/2 0 }
86	-x+1/2,-y,z,-1	{ 2'₀₀₁ \| 1/2 0 0 }
87	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
88	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
89	-x+1/2,-y,-z+1/2,-1	{ -1' \| 1/2 0 1/2 }
90	y,-x,-z+1/2,-1	{ -4'⁺₀₀₁ \| 0 0 1/2 }
91	-y+1/2,x+1/2,-z+1/2,-1	{ -4'^-₀₀₁ \| 1/2 1/2 1/2 }
92	y,x+1/2,z+1/2,-1	{ m'_1-10 \| 0 1/2 1/2 }
93	-y+1/2,-x,z+1/2,-1	{ m'₁₁₀ \| 1/2 0 1/2 }
94	x,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 0 1/2 1/2 }
95	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
96	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
(1/2,0,0)' + set click here to show and hide
97	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
98	-y,x,z,-1	{ 4'⁺₀₀₁ \| 0 }
99	y+1/2,-x+1/2,z,-1	{ 4'^-₀₀₁ \| 1/2 1/2 0 }
100	-y,-x+1/2,-z,-1	{ 2'_1-10 \| 0 1/2 0 }
101	y+1/2,x,-z,-1	{ 2'₁₁₀ \| 1/2 0 0 }
102	-x,-y+1/2,z,-1	{ 2'₀₀₁ \| 0 1/2 0 }
103	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
104	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
105	-x,-y+1/2,-z+1/2,-1	{ -1' \| 0 1/2 1/2 }
106	y+1/2,-x+1/2,-z+1/2,-1	{ -4'⁺₀₀₁ \| 1/2 1/2 1/2 }
107	-y,x,-z+1/2,-1	{ -4'^-₀₀₁ \| 0 0 1/2 }
108	y+1/2,x,z+1/2,-1	{ m'_1-10 \| 1/2 0 1/2 }
109	-y,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 0 1/2 1/2 }
110	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }
111	-x,y,z+1/2,-1	{ m'₁₀₀ \| 0 0 1/2 }
112	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }
(1/2,1/2,1/2)' + set click here to show and hide
113	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
114	-y,x+1/2,z+1/2,-1	{ 4'⁺₀₀₁ \| 0 1/2 1/2 }
115	y+1/2,-x,z+1/2,-1	{ 4'^-₀₀₁ \| 1/2 0 1/2 }
116	-y,-x,-z+1/2,-1	{ 2'_1-10 \| 0 0 1/2 }
117	y+1/2,x+1/2,-z+1/2,-1	{ 2'₁₁₀ \| 1/2 1/2 1/2 }
118	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
119	x+1/2,-y,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 0 1/2 }
120	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
121	-x,-y,-z,-1	{ -1' \| 0 }
122	y+1/2,-x,-z,-1	{ -4'⁺₀₀₁ \| 1/2 0 0 }
123	-y,x+1/2,-z,-1	{ -4'^-₀₀₁ \| 0 1/2 0 }
124	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }
125	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
126	x+1/2,y+1/2,-z,-1	{ m'₀₀₁ \| 1/2 1/2 0 }
127	-x,y+1/2,z,-1	{ m'₁₀₀ \| 0 1/2 0 }
128	x+1/2,-y,z,-1	{ m'₀₁₀ \| 1/2 0 0 }

[Hide]

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

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,x,z,+1	4⁺₀₀₁
3	y,-x,z,+1	4^-₀₀₁
4	-y,-x,-z,+1	2_1-10
5	y,x,-z,+1	2₁₁₀
6	-x,-y,z,+1	2₀₀₁
7	x,-y,-z,+1	2₁₀₀
8	-x,y,-z,+1	2₀₁₀
9	-x,-y,-z,+1	-1
10	y,-x,-z,+1	-4⁺₀₀₁
11	-y,x,-z,+1	-4^-₀₀₁
12	y,x,z,+1	m_1-10
13	-y,-x,z,+1	m₁₁₀
14	x,y,-z,+1	m₀₀₁
15	-x,y,z,+1	m₁₀₀
16	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
17	x,y,z,-1	1'
18	-y,x,z,-1	4'⁺₀₀₁
19	y,-x,z,-1	4'^-₀₀₁
20	-y,-x,-z,-1	2'_1-10
21	y,x,-z,-1	2'₁₁₀
22	-x,-y,z,-1	2'₀₀₁
23	x,-y,-z,-1	2'₁₀₀
24	-x,y,-z,-1	2'₀₁₀
25	-x,-y,-z,-1	-1'
26	y,-x,-z,-1	-4'⁺₀₀₁
27	-y,x,-z,-1	-4'^-₀₀₁
28	y,x,z,-1	m'_1-10
29	-y,-x,z,-1	m'₁₁₀
30	x,y,-z,-1	m'₀₀₁
31	-x,y,z,-1	m'₁₀₀
32	x,-y,z,-1	m'₀₁₀

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.25000	0.25000	0.25000	0.762	8	0,0,m_z	0.0	0.0	1.55(1)	1.55

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Pb1	Pb	0.00000	0.00000	0.00000	0.7	8
Bi1	Bi	0.00000	0.00000	0.00000	0.3	8
W1	W	0.25000	0.25000	0.25000	0.231	8
O1_1	O	0.00000	0.25000	0.25000	1.	16
O1_2	O	0.25000	0.25000	0.00000	1.	8

[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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.25000	0,0,m_z	0.00000	0.00000	1.55000
(0,1/2,1/2) + set click here to show and hide
2	0.25000	0.75000	0.75000	0,0,m_z	0.00000	0.00000	1.55000
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.25000	0.75000	0,0,m_z	0.00000	0.00000	1.55000
(1/2,1/2,0) + set click here to show and hide
4	0.75000	0.75000	0.25000	0,0,m_z	0.00000	0.00000	1.55000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.25000	0.75000	0,0,-m_z	0.00000	0.00000	-1.55000
(0,1/2,0)' + set click here to show and hide
6	0.25000	0.75000	0.25000	0,0,-m_z	0.00000	0.00000	-1.55000
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.25000	0.25000	0,0,-m_z	0.00000	0.00000	-1.55000
(1/2,1/2,1/2)' + set click here to show and hide
8	0.75000	0.75000	0.75000	0,0,-m_z	0.00000	0.00000	-1.55000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Pb1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.50000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000
(1/2,1/2,0) + set click here to show and hide
4	0.50000	0.50000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.50000
(0,1/2,0)' + set click here to show and hide
6	0.00000	0.50000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
8	0.50000	0.50000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Bi1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.50000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000
(1/2,1/2,0) + set click here to show and hide
4	0.50000	0.50000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.50000
(0,1/2,0)' + set click here to show and hide
6	0.00000	0.50000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
8	0.50000	0.50000	0.50000

Set of atoms in the unit cell related by symmetry with the atom W1:

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 O1_1:

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

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

Atom	x	y	z
1	0.25000	0.25000	0.00000
(0,1/2,1/2) + set click here to show and hide
2	0.25000	0.75000	0.50000
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.25000	0.50000
(1/2,1/2,0) + set click here to show and hide
4	0.75000	0.75000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.25000	0.50000
(0,1/2,0)' + set click here to show and hide
6	0.25000	0.75000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.25000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
8	0.75000	0.75000	0.50000

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.25000	0.25000	0.25000	0.762	8	0,0,m_z	0.0	0.0	1.55(1)	1.55

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mR5-	3	3	special	primary	1

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

Pb_0.7Bi_0.3Fe_0.762W_0.231O₃ (#1.591)

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

Pb0.7Bi0.3Fe0.762W0.231O3 (#1.591)

Pb_0.7Bi_0.3Fe_0.762W_0.231O₃ (#1.591)