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

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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	0.12500	0.12500	0.12500	8	m_x,m_x,m_z	0.0	0.0	-3.72(7)	3.72
Cr1	Cr	0.50000	0.50000	0.50000	16	0,0,m_z	0.0	0.0	2.63(3)	2.63

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
S1	S	0.2586(3)	0.2586	0.2586	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	0.12500	0.12500	0.12500	m_x,m_x,m_z	0.00000	0.00000	-3.72000
2	0.37500	0.37500	0.87500	m_x,-m_x,m_z	0.00000	0.00000	-3.72000
(0,1/2,1/2) + set click here to show and hide
3	0.12500	0.62500	0.62500	m_x,m_x,m_z	0.00000	0.00000	-3.72000
4	0.37500	0.87500	0.37500	m_x,-m_x,m_z	0.00000	0.00000	-3.72000
(1/2,0,1/2) + set click here to show and hide
5	0.62500	0.12500	0.62500	m_x,m_x,m_z	0.00000	0.00000	-3.72000
6	0.87500	0.37500	0.37500	m_x,-m_x,m_z	0.00000	0.00000	-3.72000
(1/2,1/2,0) + set click here to show and hide
7	0.62500	0.62500	0.12500	m_x,m_x,m_z	0.00000	0.00000	-3.72000
8	0.87500	0.87500	0.87500	m_x,-m_x,m_z	0.00000	0.00000	-3.72000

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	0.50000	0.50000	0.50000	0,0,m_z	0.00000	0.00000	2.63000
2	0.75000	0.00000	0.25000	0,0,m_z	0.00000	0.00000	2.63000
3	0.00000	0.75000	0.25000	0,0,m_z	0.00000	0.00000	2.63000
4	0.25000	0.25000	0.50000	0,0,m_z	0.00000	0.00000	2.63000
(0,1/2,1/2) + set click here to show and hide
5	0.50000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	2.63000
6	0.75000	0.50000	0.75000	0,0,m_z	0.00000	0.00000	2.63000
7	0.00000	0.25000	0.75000	0,0,m_z	0.00000	0.00000	2.63000
8	0.25000	0.75000	0.00000	0,0,m_z	0.00000	0.00000	2.63000
(1/2,0,1/2) + set click here to show and hide
9	0.00000	0.50000	0.00000	0,0,m_z	0.00000	0.00000	2.63000
10	0.25000	0.00000	0.75000	0,0,m_z	0.00000	0.00000	2.63000
11	0.50000	0.75000	0.75000	0,0,m_z	0.00000	0.00000	2.63000
12	0.75000	0.25000	0.00000	0,0,m_z	0.00000	0.00000	2.63000
(1/2,1/2,0) + set click here to show and hide
13	0.00000	0.00000	0.50000	0,0,m_z	0.00000	0.00000	2.63000
14	0.25000	0.50000	0.25000	0,0,m_z	0.00000	0.00000	2.63000
15	0.50000	0.25000	0.25000	0,0,m_z	0.00000	0.00000	2.63000
16	0.75000	0.75000	0.50000	0,0,m_z	0.00000	0.00000	2.63000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.25860	0.25860	0.25860
2	0.50860	0.24140	0.00860
3	0.24140	0.50860	0.00860
4	0.49140	0.49140	0.25860
5	0.24140	0.74140	0.24140
6	0.99140	0.75860	0.49140
7	0.25860	0.49140	0.49140
8	0.50860	0.00860	0.24140
(0,1/2,1/2) + set click here to show and hide
9	0.25860	0.75860	0.75860
10	0.50860	0.74140	0.50860
11	0.24140	0.00860	0.50860
12	0.49140	0.99140	0.75860
13	0.24140	0.24140	0.74140
14	0.99140	0.25860	0.99140
15	0.25860	0.99140	0.99140
16	0.50860	0.50860	0.74140
(1/2,0,1/2) + set click here to show and hide
17	0.75860	0.25860	0.75860
18	0.00860	0.24140	0.50860
19	0.74140	0.50860	0.50860
20	0.99140	0.49140	0.75860
21	0.74140	0.74140	0.74140
22	0.49140	0.75860	0.99140
23	0.75860	0.49140	0.99140
24	0.00860	0.00860	0.74140
(1/2,1/2,0) + set click here to show and hide
25	0.75860	0.75860	0.25860
26	0.00860	0.74140	0.00860
27	0.74140	0.00860	0.00860
28	0.99140	0.99140	0.25860
29	0.74140	0.24140	0.24140
30	0.49140	0.25860	0.49140
31	0.75860	0.99140	0.49140
32	0.00860	0.50860	0.24140

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.12500	0.12500	0.12500	8	m_x,m_x,m_z	0.0	0.0	-3.72(7)	3.72
Cr1	Cr	0.50000	0.50000	0.50000	16	0,0,m_z	0.0	0.0	2.63(3)	2.63

[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 (#0.615)

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

FeCr2S4 (#0.615)

FeCr₂S₄ (#0.615)