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+1/4,-x+3/4,z+3/4,+1	{ 4^-₀₀₁ \| 1/4 3/4 3/4 }
3	-y+3/4,x+1/4,z+3/4,+1	{ 4⁺₀₀₁ \| 3/4 1/4 3/4 }
4	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
5	-x+3/4,-y+1/4,-z+3/4,+1	{ -1 \| 3/4 1/4 3/4 }
6	-y+1/2,x+1/2,-z,+1	{ -4^-₀₀₁ \| 1/2 1/2 0 }
7	y,-x,-z,+1	{ -4⁺₀₀₁ \| 0 }
8	x+1/4,y+3/4,-z+3/4,+1	{ m₀₀₁ \| 1/4 3/4 3/4 }
9	y+3/4,x+1/4,-z+3/4,-1	{ 2'₁₁₀ \| 3/4 1/4 3/4 }
10	-y+1/4,-x+3/4,-z+3/4,-1	{ 2'_1-10 \| 1/4 3/4 3/4 }
11	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
12	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
13	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
14	y,x,z,-1	{ m'_1-10 \| 0 }
15	-x+1/4,y+3/4,z+3/4,-1	{ m'₁₀₀ \| 1/4 3/4 3/4 }
16	x+3/4,-y+1/4,z+3/4,-1	{ m'₀₁₀ \| 3/4 1/4 3/4 }
(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+1/4,-x+1/4,z+1/4,+1	{ 4^-₀₀₁ \| 1/4 1/4 1/4 }
19	-y+3/4,x+3/4,z+1/4,+1	{ 4⁺₀₀₁ \| 3/4 3/4 1/4 }
20	-x,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
21	-x+3/4,-y+3/4,-z+1/4,+1	{ -1 \| 3/4 3/4 1/4 }
22	-y+1/2,x,-z+1/2,+1	{ -4^-₀₀₁ \| 1/2 0 1/2 }
23	y,-x+1/2,-z+1/2,+1	{ -4⁺₀₀₁ \| 0 1/2 1/2 }
24	x+1/4,y+1/4,-z+1/4,+1	{ m₀₀₁ \| 1/4 1/4 1/4 }
25	y+3/4,x+3/4,-z+1/4,-1	{ 2'₁₁₀ \| 3/4 3/4 1/4 }
26	-y+1/4,-x+1/4,-z+1/4,-1	{ 2'_1-10 \| 1/4 1/4 1/4 }
27	x+1/2,-y,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 0 1/2 }
28	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
29	-y,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 0 1/2 1/2 }
30	y,x+1/2,z+1/2,-1	{ m'_1-10 \| 0 1/2 1/2 }
31	-x+1/4,y+1/4,z+1/4,-1	{ m'₁₀₀ \| 1/4 1/4 1/4 }
32	x+3/4,-y+3/4,z+1/4,-1	{ m'₀₁₀ \| 3/4 3/4 1/4 }
(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+3/4,-x+3/4,z+1/4,+1	{ 4^-₀₀₁ \| 3/4 3/4 1/4 }
35	-y+1/4,x+1/4,z+1/4,+1	{ 4⁺₀₀₁ \| 1/4 1/4 1/4 }
36	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
37	-x+1/4,-y+1/4,-z+1/4,+1	{ -1 \| 1/4 1/4 1/4 }
38	-y,x+1/2,-z+1/2,+1	{ -4^-₀₀₁ \| 0 1/2 1/2 }
39	y+1/2,-x,-z+1/2,+1	{ -4⁺₀₀₁ \| 1/2 0 1/2 }
40	x+3/4,y+3/4,-z+1/4,+1	{ m₀₀₁ \| 3/4 3/4 1/4 }
41	y+1/4,x+1/4,-z+1/4,-1	{ 2'₁₁₀ \| 1/4 1/4 1/4 }
42	-y+3/4,-x+3/4,-z+1/4,-1	{ 2'_1-10 \| 3/4 3/4 1/4 }
43	x,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 0 1/2 1/2 }
44	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
45	-y+1/2,-x,z+1/2,-1	{ m'₁₁₀ \| 1/2 0 1/2 }
46	y+1/2,x,z+1/2,-1	{ m'_1-10 \| 1/2 0 1/2 }
47	-x+3/4,y+3/4,z+1/4,-1	{ m'₁₀₀ \| 3/4 3/4 1/4 }
48	x+1/4,-y+1/4,z+1/4,-1	{ m'₀₁₀ \| 1/4 1/4 1/4 }
(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+3/4,-x+1/4,z+3/4,+1	{ 4^-₀₀₁ \| 3/4 1/4 3/4 }
51	-y+1/4,x+3/4,z+3/4,+1	{ 4⁺₀₀₁ \| 1/4 3/4 3/4 }
52	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
53	-x+1/4,-y+3/4,-z+3/4,+1	{ -1 \| 1/4 3/4 3/4 }
54	-y,x,-z,+1	{ -4^-₀₀₁ \| 0 }
55	y+1/2,-x+1/2,-z,+1	{ -4⁺₀₀₁ \| 1/2 1/2 0 }
56	x+3/4,y+1/4,-z+3/4,+1	{ m₀₀₁ \| 3/4 1/4 3/4 }
57	y+1/4,x+3/4,-z+3/4,-1	{ 2'₁₁₀ \| 1/4 3/4 3/4 }
58	-y+3/4,-x+1/4,-z+3/4,-1	{ 2'_1-10 \| 3/4 1/4 3/4 }
59	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
60	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
61	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }
62	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }
63	-x+3/4,y+1/4,z+3/4,-1	{ m'₁₀₀ \| 3/4 1/4 3/4 }
64	x+1/4,-y+3/4,z+3/4,-1	{ m'₀₁₀ \| 1/4 3/4 3/4 }

[Hide]

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	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	-y,x,-z,+1	-4^-₀₀₁
7	y,-x,-z,+1	-4⁺₀₀₁
8	x,y,-z,+1	m₀₀₁
9	y,x,-z,-1	2'₁₁₀
10	-y,-x,-z,-1	2'_1-10
11	x,-y,-z,-1	2'₁₀₀
12	-x,y,-z,-1	2'₀₁₀
13	-y,-x,z,-1	m'₁₁₀
14	y,x,z,-1	m'_1-10
15	-x,y,z,-1	m'₁₀₀
16	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	8	m_x,m_x,m_z	0.0	0.0	-3.52	3.52
Cr1	Cr	0.62500	0.62500	0.62500	16	0,0,m_z	0.0	0.0	2.72	2.72

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
S1	S	0.3834(3)	0.38340	0.38340	32

[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	0.00000	0.00000	0.00000	m_x,m_x,m_z	0.00000	0.00000	-3.52000
2	0.25000	0.75000	0.75000	m_x,-m_x,m_z	0.00000	0.00000	-3.52000
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.50000	m_x,m_x,m_z	0.00000	0.00000	-3.52000
4	0.25000	0.25000	0.25000	m_x,-m_x,m_z	0.00000	0.00000	-3.52000
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.00000	0.50000	m_x,m_x,m_z	0.00000	0.00000	-3.52000
6	0.75000	0.75000	0.25000	m_x,-m_x,m_z	0.00000	0.00000	-3.52000
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.50000	0.00000	m_x,m_x,m_z	0.00000	0.00000	-3.52000
8	0.75000	0.25000	0.75000	m_x,-m_x,m_z	0.00000	0.00000	-3.52000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.62500	0.62500	0.62500	0,0,m_z	0.00000	0.00000	2.72000
2	0.87500	0.12500	0.37500	0,0,m_z	0.00000	0.00000	2.72000
3	0.12500	0.87500	0.37500	0,0,m_z	0.00000	0.00000	2.72000
4	0.37500	0.37500	0.62500	0,0,m_z	0.00000	0.00000	2.72000
(0,1/2,1/2) + set click here to show and hide
5	0.62500	0.12500	0.12500	0,0,m_z	0.00000	0.00000	2.72000
6	0.87500	0.62500	0.87500	0,0,m_z	0.00000	0.00000	2.72000
7	0.12500	0.37500	0.87500	0,0,m_z	0.00000	0.00000	2.72000
8	0.37500	0.87500	0.12500	0,0,m_z	0.00000	0.00000	2.72000
(1/2,0,1/2) + set click here to show and hide
9	0.12500	0.62500	0.12500	0,0,m_z	0.00000	0.00000	2.72000
10	0.37500	0.12500	0.87500	0,0,m_z	0.00000	0.00000	2.72000
11	0.62500	0.87500	0.87500	0,0,m_z	0.00000	0.00000	2.72000
12	0.87500	0.37500	0.12500	0,0,m_z	0.00000	0.00000	2.72000
(1/2,1/2,0) + set click here to show and hide
13	0.12500	0.12500	0.62500	0,0,m_z	0.00000	0.00000	2.72000
14	0.37500	0.62500	0.37500	0,0,m_z	0.00000	0.00000	2.72000
15	0.62500	0.37500	0.37500	0,0,m_z	0.00000	0.00000	2.72000
16	0.87500	0.87500	0.62500	0,0,m_z	0.00000	0.00000	2.72000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom S1:

Atom	x	y	z
1	0.38340	0.38340	0.38340
2	0.63340	0.36660	0.13340
3	0.36660	0.63340	0.13340
4	0.61660	0.61660	0.38340
5	0.36660	0.86660	0.36660
6	0.11660	0.88340	0.61660
7	0.38340	0.61660	0.61660
8	0.63340	0.13340	0.36660
(0,1/2,1/2) + set click here to show and hide
9	0.38340	0.88340	0.88340
10	0.63340	0.86660	0.63340
11	0.36660	0.13340	0.63340
12	0.61660	0.11660	0.88340
13	0.36660	0.36660	0.86660
14	0.11660	0.38340	0.11660
15	0.38340	0.11660	0.11660
16	0.63340	0.63340	0.86660
(1/2,0,1/2) + set click here to show and hide
17	0.88340	0.38340	0.88340
18	0.13340	0.36660	0.63340
19	0.86660	0.63340	0.63340
20	0.11660	0.61660	0.88340
21	0.86660	0.86660	0.86660
22	0.61660	0.88340	0.11660
23	0.88340	0.61660	0.11660
24	0.13340	0.13340	0.86660
(1/2,1/2,0) + set click here to show and hide
25	0.88340	0.88340	0.38340
26	0.13340	0.86660	0.13340
27	0.86660	0.13340	0.13340
28	0.11660	0.11660	0.38340
29	0.86660	0.36660	0.36660
30	0.61660	0.38340	0.61660
31	0.88340	0.11660	0.61660
32	0.13340	0.63340	0.36660

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	8	m_x,m_x,m_z	0.0	0.0	-3.52	3.52
Cr1	Cr	0.62500	0.62500	0.62500	16	0,0,m_z	0.0	0.0	2.72	2.72

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mGM4+	3	3	special	primary	3

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

FeCr₂S₄ (#0.613)

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

FeCr2S4 (#0.613)

FeCr₂S₄ (#0.613)