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	-x,-y,-z,-1	{ -1' \| 0 }
3	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
4	y,-x,z,-1	{ 4'^-₀₀₁ \| 0 }
5	-y,x,z,-1	{ 4'⁺₀₀₁ \| 0 }
6	-y,x,-z,+1	{ -4^-₀₀₁ \| 0 }
7	y,-x,-z,+1	{ -4⁺₀₀₁ \| 0 }
8	x,y,-z,-1	{ m'₀₀₁ \| 0 }
9	y,x,z+1/2,-1	{ m'_1-10 \| 0 0 1/2 }
10	x,-y,-z+1/2,-1	{ 2'₁₀₀ \| 0 0 1/2 }
11	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
12	-y,-x,z+1/2,-1	{ m'₁₁₀ \| 0 0 1/2 }
13	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
14	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
15	y,x,-z+1/2,+1	{ 2₁₁₀ \| 0 0 1/2 }
16	-y,-x,-z+1/2,+1	{ 2_1-10 \| 0 0 1/2 }
(1/2,1/2,0) + set click here to show and hide
17	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
18	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
19	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
20	y+1/2,-x+1/2,z,-1	{ 4'^-₀₀₁ \| 1/2 1/2 0 }
21	-y+1/2,x+1/2,z,-1	{ 4'⁺₀₀₁ \| 1/2 1/2 0 }
22	-y+1/2,x+1/2,-z,+1	{ -4^-₀₀₁ \| 1/2 1/2 0 }
23	y+1/2,-x+1/2,-z,+1	{ -4⁺₀₀₁ \| 1/2 1/2 0 }
24	x+1/2,y+1/2,-z,-1	{ m'₀₀₁ \| 1/2 1/2 0 }
25	y+1/2,x+1/2,z+1/2,-1	{ m'_1-10 \| 1/2 1/2 1/2 }
26	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
27	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
28	-y+1/2,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 1/2 1/2 1/2 }
29	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
30	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
31	y+1/2,x+1/2,-z+1/2,+1	{ 2₁₁₀ \| 1/2 1/2 1/2 }
32	-y+1/2,-x+1/2,-z+1/2,+1	{ 2_1-10 \| 1/2 1/2 1/2 }
(0,1/2,0)' + set click here to show and hide
33	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
34	-x,-y+1/2,-z,+1	{ -1 \| 0 1/2 0 }
35	-x,-y+1/2,z,-1	{ 2'₀₀₁ \| 0 1/2 0 }
36	y,-x+1/2,z,+1	{ 4^-₀₀₁ \| 0 1/2 0 }
37	-y,x+1/2,z,+1	{ 4⁺₀₀₁ \| 0 1/2 0 }
38	-y,x+1/2,-z,-1	{ -4'^-₀₀₁ \| 0 1/2 0 }
39	y,-x+1/2,-z,-1	{ -4'⁺₀₀₁ \| 0 1/2 0 }
40	x,y+1/2,-z,+1	{ m₀₀₁ \| 0 1/2 0 }
41	y,x+1/2,z+1/2,+1	{ m_1-10 \| 0 1/2 1/2 }
42	x,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 0 1/2 1/2 }
43	-x,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
44	-y,-x+1/2,z+1/2,+1	{ m₁₁₀ \| 0 1/2 1/2 }
45	-x,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 0 1/2 1/2 }
46	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }
47	y,x+1/2,-z+1/2,-1	{ 2'₁₁₀ \| 0 1/2 1/2 }
48	-y,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 0 1/2 1/2 }
(1/2,0,0)' + set click here to show and hide
49	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
50	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
51	-x+1/2,-y,z,-1	{ 2'₀₀₁ \| 1/2 0 0 }
52	y+1/2,-x,z,+1	{ 4^-₀₀₁ \| 1/2 0 0 }
53	-y+1/2,x,z,+1	{ 4⁺₀₀₁ \| 1/2 0 0 }
54	-y+1/2,x,-z,-1	{ -4'^-₀₀₁ \| 1/2 0 0 }
55	y+1/2,-x,-z,-1	{ -4'⁺₀₀₁ \| 1/2 0 0 }
56	x+1/2,y,-z,+1	{ m₀₀₁ \| 1/2 0 0 }
57	y+1/2,x,z+1/2,+1	{ m_1-10 \| 1/2 0 1/2 }
58	x+1/2,-y,-z+1/2,+1	{ 2₁₀₀ \| 1/2 0 1/2 }
59	-x+1/2,y,-z+1/2,+1	{ 2₀₁₀ \| 1/2 0 1/2 }
60	-y+1/2,-x,z+1/2,+1	{ m₁₁₀ \| 1/2 0 1/2 }
61	-x+1/2,y,z+1/2,-1	{ m'₁₀₀ \| 1/2 0 1/2 }
62	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
63	y+1/2,x,-z+1/2,-1	{ 2'₁₁₀ \| 1/2 0 1/2 }
64	-y+1/2,-x,-z+1/2,-1	{ 2'_1-10 \| 1/2 0 1/2 }

[Hide]

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

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

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.07915	0.32915	0.00000	32	m_x,m_y,0	1.85(5)	-1.85(5)	0.0	2.62

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1_1	Ba	0.00000	0.00000	0.25000	8
Ba1_2	Ba	0.25000	0.25000	0.75000	8
Zn1	Zn	0.00000	0.25000	0.25000	16
S1_1	S	0.00000	0.00000	0.00000	8
S1_2	S	0.25000	0.25000	0.50000	8
S2	S	0.07500	0.32500	0.62500	64

[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 Nd1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.07915	0.32915	0.00000	m_x,m_y,0	1.85000	-1.85000	0.00000
2	0.92085	0.67085	0.00000	-m_x,-m_y,0	-1.85000	1.85000	0.00000
3	0.32915	0.92085	0.00000	-m_y,m_x,0	1.85000	1.85000	0.00000
4	0.67085	0.07915	0.00000	m_y,-m_x,0	-1.85000	-1.85000	0.00000
5	0.32915	0.07915	0.50000	m_y,m_x,0	-1.85000	1.85000	0.00000
6	0.07915	0.67085	0.50000	-m_x,m_y,0	-1.85000	-1.85000	0.00000
7	0.92085	0.32915	0.50000	m_x,-m_y,0	1.85000	1.85000	0.00000
8	0.67085	0.92085	0.50000	-m_y,-m_x,0	1.85000	-1.85000	0.00000
(1/2,1/2,0) + set click here to show and hide
9	0.57915	0.82915	0.00000	m_x,m_y,0	1.85000	-1.85000	0.00000
10	0.42085	0.17085	0.00000	-m_x,-m_y,0	-1.85000	1.85000	0.00000
11	0.82915	0.42085	0.00000	-m_y,m_x,0	1.85000	1.85000	0.00000
12	0.17085	0.57915	0.00000	m_y,-m_x,0	-1.85000	-1.85000	0.00000
13	0.82915	0.57915	0.50000	m_y,m_x,0	-1.85000	1.85000	0.00000
14	0.57915	0.17085	0.50000	-m_x,m_y,0	-1.85000	-1.85000	0.00000
15	0.42085	0.82915	0.50000	m_x,-m_y,0	1.85000	1.85000	0.00000
16	0.17085	0.42085	0.50000	-m_y,-m_x,0	1.85000	-1.85000	0.00000
(0,1/2,0)' + set click here to show and hide
17	0.07915	0.82915	0.00000	-m_x,-m_y,0	-1.85000	1.85000	0.00000
18	0.92085	0.17085	0.00000	m_x,m_y,0	1.85000	-1.85000	0.00000
19	0.32915	0.42085	0.00000	m_y,-m_x,0	-1.85000	-1.85000	0.00000
20	0.67085	0.57915	0.00000	-m_y,m_x,0	1.85000	1.85000	0.00000
21	0.32915	0.57915	0.50000	-m_y,-m_x,0	1.85000	-1.85000	0.00000
22	0.07915	0.17085	0.50000	m_x,-m_y,0	1.85000	1.85000	0.00000
23	0.92085	0.82915	0.50000	-m_x,m_y,0	-1.85000	-1.85000	0.00000
24	0.67085	0.42085	0.50000	m_y,m_x,0	-1.85000	1.85000	0.00000
(1/2,0,0)' + set click here to show and hide
25	0.57915	0.32915	0.00000	-m_x,-m_y,0	-1.85000	1.85000	0.00000
26	0.42085	0.67085	0.00000	m_x,m_y,0	1.85000	-1.85000	0.00000
27	0.82915	0.92085	0.00000	m_y,-m_x,0	-1.85000	-1.85000	0.00000
28	0.17085	0.07915	0.00000	-m_y,m_x,0	1.85000	1.85000	0.00000
29	0.82915	0.07915	0.50000	-m_y,-m_x,0	1.85000	-1.85000	0.00000
30	0.57915	0.67085	0.50000	m_x,-m_y,0	1.85000	1.85000	0.00000
31	0.42085	0.32915	0.50000	-m_x,m_y,0	-1.85000	-1.85000	0.00000
32	0.17085	0.92085	0.50000	m_y,m_x,0	-1.85000	1.85000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1_1:

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

Set of atoms in the unit cell related by symmetry with the atom Ba1_2:

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

Set of atoms in the unit cell related by symmetry with the atom Zn1:

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

Set of atoms in the unit cell related by symmetry with the atom S1_1:

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

Set of atoms in the unit cell related by symmetry with the atom S1_2:

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

Set of atoms in the unit cell related by symmetry with the atom S2:

Atom	x	y	z
1	0.07500	0.32500	0.62500
2	0.92500	0.67500	0.37500
3	0.92500	0.67500	0.62500
4	0.32500	0.92500	0.62500
5	0.67500	0.07500	0.62500
6	0.67500	0.07500	0.37500
7	0.32500	0.92500	0.37500
8	0.07500	0.32500	0.37500
9	0.32500	0.07500	0.12500
10	0.07500	0.67500	0.87500
11	0.92500	0.32500	0.87500
12	0.67500	0.92500	0.12500
13	0.92500	0.32500	0.12500
14	0.07500	0.67500	0.12500
15	0.32500	0.07500	0.87500
16	0.67500	0.92500	0.87500
(1/2,1/2,0) + set click here to show and hide
17	0.57500	0.82500	0.62500
18	0.42500	0.17500	0.37500
19	0.42500	0.17500	0.62500
20	0.82500	0.42500	0.62500
21	0.17500	0.57500	0.62500
22	0.17500	0.57500	0.37500
23	0.82500	0.42500	0.37500
24	0.57500	0.82500	0.37500
25	0.82500	0.57500	0.12500
26	0.57500	0.17500	0.87500
27	0.42500	0.82500	0.87500
28	0.17500	0.42500	0.12500
29	0.42500	0.82500	0.12500
30	0.57500	0.17500	0.12500
31	0.82500	0.57500	0.87500
32	0.17500	0.42500	0.87500
(0,1/2,0)' + set click here to show and hide
33	0.07500	0.82500	0.62500
34	0.92500	0.17500	0.37500
35	0.92500	0.17500	0.62500
36	0.32500	0.42500	0.62500
37	0.67500	0.57500	0.62500
38	0.67500	0.57500	0.37500
39	0.32500	0.42500	0.37500
40	0.07500	0.82500	0.37500
41	0.32500	0.57500	0.12500
42	0.07500	0.17500	0.87500
43	0.92500	0.82500	0.87500
44	0.67500	0.42500	0.12500
45	0.92500	0.82500	0.12500
46	0.07500	0.17500	0.12500
47	0.32500	0.57500	0.87500
48	0.67500	0.42500	0.87500
(1/2,0,0)' + set click here to show and hide
49	0.57500	0.32500	0.62500
50	0.42500	0.67500	0.37500
51	0.42500	0.67500	0.62500
52	0.82500	0.92500	0.62500
53	0.17500	0.07500	0.62500
54	0.17500	0.07500	0.37500
55	0.82500	0.92500	0.37500
56	0.57500	0.32500	0.37500
57	0.82500	0.07500	0.12500
58	0.57500	0.67500	0.87500
59	0.42500	0.32500	0.87500
60	0.17500	0.92500	0.12500
61	0.42500	0.32500	0.12500
62	0.57500	0.67500	0.12500
63	0.82500	0.07500	0.87500
64	0.17500	0.92500	0.87500

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.07915	0.32915	0.00000	32	m_x,m_y,0	1.85(5)	-1.85(5)	0.0	2.62

[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 Nd1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.07915	0.32915	0.00000	m_x,m_y,0	1.85000	-1.85000	0.00000
2	0.92085	0.67085	0.00000	-m_x,-m_y,0	-1.85000	1.85000	0.00000
3	0.32915	0.92085	0.00000	-m_y,m_x,0	1.85000	1.85000	0.00000
4	0.67085	0.07915	0.00000	m_y,-m_x,0	-1.85000	-1.85000	0.00000
5	0.32915	0.07915	0.50000	m_y,m_x,0	-1.85000	1.85000	0.00000
6	0.07915	0.67085	0.50000	-m_x,m_y,0	-1.85000	-1.85000	0.00000
7	0.92085	0.32915	0.50000	m_x,-m_y,0	1.85000	1.85000	0.00000
8	0.67085	0.92085	0.50000	-m_y,-m_x,0	1.85000	-1.85000	0.00000
(1/2,1/2,0) + set click here to show and hide
9	0.57915	0.82915	0.00000	m_x,m_y,0	1.85000	-1.85000	0.00000
10	0.42085	0.17085	0.00000	-m_x,-m_y,0	-1.85000	1.85000	0.00000
11	0.82915	0.42085	0.00000	-m_y,m_x,0	1.85000	1.85000	0.00000
12	0.17085	0.57915	0.00000	m_y,-m_x,0	-1.85000	-1.85000	0.00000
13	0.82915	0.57915	0.50000	m_y,m_x,0	-1.85000	1.85000	0.00000
14	0.57915	0.17085	0.50000	-m_x,m_y,0	-1.85000	-1.85000	0.00000
15	0.42085	0.82915	0.50000	m_x,-m_y,0	1.85000	1.85000	0.00000
16	0.17085	0.42085	0.50000	-m_y,-m_x,0	1.85000	-1.85000	0.00000
(0,1/2,0)' + set click here to show and hide
17	0.07915	0.82915	0.00000	-m_x,-m_y,0	-1.85000	1.85000	0.00000
18	0.92085	0.17085	0.00000	m_x,m_y,0	1.85000	-1.85000	0.00000
19	0.32915	0.42085	0.00000	m_y,-m_x,0	-1.85000	-1.85000	0.00000
20	0.67085	0.57915	0.00000	-m_y,m_x,0	1.85000	1.85000	0.00000
21	0.32915	0.57915	0.50000	-m_y,-m_x,0	1.85000	-1.85000	0.00000
22	0.07915	0.17085	0.50000	m_x,-m_y,0	1.85000	1.85000	0.00000
23	0.92085	0.82915	0.50000	-m_x,m_y,0	-1.85000	-1.85000	0.00000
24	0.67085	0.42085	0.50000	m_y,m_x,0	-1.85000	1.85000	0.00000
(1/2,0,0)' + set click here to show and hide
25	0.57915	0.32915	0.00000	-m_x,-m_y,0	-1.85000	1.85000	0.00000
26	0.42085	0.67085	0.00000	m_x,m_y,0	1.85000	-1.85000	0.00000
27	0.82915	0.92085	0.00000	m_y,-m_x,0	-1.85000	-1.85000	0.00000
28	0.17085	0.07915	0.00000	-m_y,m_x,0	1.85000	1.85000	0.00000
29	0.82915	0.07915	0.50000	-m_y,-m_x,0	1.85000	-1.85000	0.00000
30	0.57915	0.67085	0.50000	m_x,-m_y,0	1.85000	1.85000	0.00000
31	0.42085	0.32915	0.50000	-m_x,m_y,0	-1.85000	-1.85000	0.00000
32	0.17085	0.92085	0.50000	m_y,m_x,0	-1.85000	1.85000	0.00000

[Hide]

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mX1-	2	1	special-2	primary	2

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

BaNd₂ZnS₅ (#2.104)

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

BaNd2ZnS5 (#2.104)

BaNd₂ZnS₅ (#2.104)