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+1/4,z+3/4,+1	{ 4^-₀₀₁ \| 1/4 1/4 3/4 }
3	-y+1/4,x+1/4,z+3/4,+1	{ 4⁺₀₀₁ \| 1/4 1/4 3/4 }
4	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
5	-x+1/4,-y+3/4,-z+1/4,+1	{ -1 \| 1/4 3/4 1/4 }
6	-y,x+1/2,-z+1/2,+1	{ -4^-₀₀₁ \| 0 1/2 1/2 }
7	y,-x+1/2,-z+1/2,+1	{ -4⁺₀₀₁ \| 0 1/2 1/2 }
8	x+1/4,y+3/4,-z+1/4,+1	{ m₀₀₁ \| 1/4 3/4 1/4 }
9	y+3/4,x+1/4,-z+1/4,-1	{ 2'₁₁₀ \| 3/4 1/4 1/4 }
10	-y+3/4,-x+1/4,-z+1/4,-1	{ 2'_1-10 \| 3/4 1/4 1/4 }
11	x+1/2,-y,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 0 1/2 }
12	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
13	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }
14	y,x,z,-1	{ m'_1-10 \| 0 }
15	-x+3/4,y+3/4,z+3/4,-1	{ m'₁₀₀ \| 3/4 3/4 3/4 }
16	x+3/4,-y+3/4,z+3/4,-1	{ m'₀₁₀ \| 3/4 3/4 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+3/4,z+1/4,+1	{ 4^-₀₀₁ \| 1/4 3/4 1/4 }
19	-y+1/4,x+3/4,z+1/4,+1	{ 4⁺₀₀₁ \| 1/4 3/4 1/4 }
20	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
21	-x+1/4,-y+1/4,-z+3/4,+1	{ -1 \| 1/4 1/4 3/4 }
22	-y,x,-z,+1	{ -4^-₀₀₁ \| 0 }
23	y,-x,-z,+1	{ -4⁺₀₀₁ \| 0 }
24	x+1/4,y+1/4,-z+3/4,+1	{ m₀₀₁ \| 1/4 1/4 3/4 }
25	y+3/4,x+3/4,-z+3/4,-1	{ 2'₁₁₀ \| 3/4 3/4 3/4 }
26	-y+3/4,-x+3/4,-z+3/4,-1	{ 2'_1-10 \| 3/4 3/4 3/4 }
27	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
28	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
29	-y+1/2,-x,z+1/2,-1	{ m'₁₁₀ \| 1/2 0 1/2 }
30	y,x+1/2,z+1/2,-1	{ m'_1-10 \| 0 1/2 1/2 }
31	-x+3/4,y+1/4,z+1/4,-1	{ m'₁₀₀ \| 3/4 1/4 1/4 }
32	x+3/4,-y+1/4,z+1/4,-1	{ m'₀₁₀ \| 3/4 1/4 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+1/4,z+1/4,+1	{ 4^-₀₀₁ \| 3/4 1/4 1/4 }
35	-y+3/4,x+1/4,z+1/4,+1	{ 4⁺₀₀₁ \| 3/4 1/4 1/4 }
36	-x,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
37	-x+3/4,-y+3/4,-z+3/4,+1	{ -1 \| 3/4 3/4 3/4 }
38	-y+1/2,x+1/2,-z,+1	{ -4^-₀₀₁ \| 1/2 1/2 0 }
39	y+1/2,-x+1/2,-z,+1	{ -4⁺₀₀₁ \| 1/2 1/2 0 }
40	x+3/4,y+3/4,-z+3/4,+1	{ m₀₀₁ \| 3/4 3/4 3/4 }
41	y+1/4,x+1/4,-z+3/4,-1	{ 2'₁₁₀ \| 1/4 1/4 3/4 }
42	-y+1/4,-x+1/4,-z+3/4,-1	{ 2'_1-10 \| 1/4 1/4 3/4 }
43	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
44	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
45	-y,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 0 1/2 1/2 }
46	y+1/2,x,z+1/2,-1	{ m'_1-10 \| 1/2 0 1/2 }
47	-x+1/4,y+3/4,z+1/4,-1	{ m'₁₀₀ \| 1/4 3/4 1/4 }
48	x+1/4,-y+3/4,z+1/4,-1	{ m'₀₁₀ \| 1/4 3/4 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+3/4,z+3/4,+1	{ 4^-₀₀₁ \| 3/4 3/4 3/4 }
51	-y+3/4,x+3/4,z+3/4,+1	{ 4⁺₀₀₁ \| 3/4 3/4 3/4 }
52	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
53	-x+3/4,-y+1/4,-z+1/4,+1	{ -1 \| 3/4 1/4 1/4 }
54	-y+1/2,x,-z+1/2,+1	{ -4^-₀₀₁ \| 1/2 0 1/2 }
55	y+1/2,-x,-z+1/2,+1	{ -4⁺₀₀₁ \| 1/2 0 1/2 }
56	x+3/4,y+1/4,-z+1/4,+1	{ m₀₀₁ \| 3/4 1/4 1/4 }
57	y+1/4,x+3/4,-z+1/4,-1	{ 2'₁₁₀ \| 1/4 3/4 1/4 }
58	-y+1/4,-x+3/4,-z+1/4,-1	{ 2'_1-10 \| 1/4 3/4 1/4 }
59	x,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 0 1/2 1/2 }
60	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
61	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
62	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }
63	-x+1/4,y+1/4,z+3/4,-1	{ m'₁₀₀ \| 1/4 1/4 3/4 }
64	x+1/4,-y+1/4,z+3/4,-1	{ m'₀₁₀ \| 1/4 1/4 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	0,0,m_z	0.0	0.0	3.16(7)	3.16
Fe2	Fe	0.37500	0.37500	0.37500	16	m_x,m_x,m_z	0.0	0.0	-3.24(5)	3.24

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
S1	S	0.13020	0.13020	0.13020	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	0,0,m_z	0.00000	0.00000	3.16000
2	0.25000	0.25000	0.75000	0,0,m_z	0.00000	0.00000	3.16000
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.50000	0,0,m_z	0.00000	0.00000	3.16000
4	0.25000	0.75000	0.25000	0,0,m_z	0.00000	0.00000	3.16000
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.00000	0.50000	0,0,m_z	0.00000	0.00000	3.16000
6	0.75000	0.25000	0.25000	0,0,m_z	0.00000	0.00000	3.16000
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.50000	0.00000	0,0,m_z	0.00000	0.00000	3.16000
8	0.75000	0.75000	0.75000	0,0,m_z	0.00000	0.00000	3.16000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.37500	0.37500	0.37500	m_x,m_x,m_z	0.00000	0.00000	-3.24000
2	0.62500	0.87500	0.12500	m_x,-m_x,m_z	0.00000	0.00000	-3.24000
3	0.87500	0.62500	0.12500	-m_x,m_x,m_z	0.00000	0.00000	-3.24000
4	0.12500	0.12500	0.37500	-m_x,-m_x,m_z	0.00000	0.00000	-3.24000
(0,1/2,1/2) + set click here to show and hide
5	0.37500	0.87500	0.87500	m_x,m_x,m_z	0.00000	0.00000	-3.24000
6	0.62500	0.37500	0.62500	m_x,-m_x,m_z	0.00000	0.00000	-3.24000
7	0.87500	0.12500	0.62500	-m_x,m_x,m_z	0.00000	0.00000	-3.24000
8	0.12500	0.62500	0.87500	-m_x,-m_x,m_z	0.00000	0.00000	-3.24000
(1/2,0,1/2) + set click here to show and hide
9	0.87500	0.37500	0.87500	m_x,m_x,m_z	0.00000	0.00000	-3.24000
10	0.12500	0.87500	0.62500	m_x,-m_x,m_z	0.00000	0.00000	-3.24000
11	0.37500	0.62500	0.62500	-m_x,m_x,m_z	0.00000	0.00000	-3.24000
12	0.62500	0.12500	0.87500	-m_x,-m_x,m_z	0.00000	0.00000	-3.24000
(1/2,1/2,0) + set click here to show and hide
13	0.87500	0.87500	0.37500	m_x,m_x,m_z	0.00000	0.00000	-3.24000
14	0.12500	0.37500	0.12500	m_x,-m_x,m_z	0.00000	0.00000	-3.24000
15	0.37500	0.12500	0.12500	-m_x,m_x,m_z	0.00000	0.00000	-3.24000
16	0.62500	0.62500	0.37500	-m_x,-m_x,m_z	0.00000	0.00000	-3.24000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.13020	0.13020	0.13020
2	0.38020	0.11980	0.88020
3	0.11980	0.38020	0.88020
4	0.36980	0.36980	0.13020
5	0.11980	0.61980	0.11980
6	0.86980	0.63020	0.36980
7	0.13020	0.36980	0.36980
8	0.38020	0.88020	0.11980
(0,1/2,1/2) + set click here to show and hide
9	0.13020	0.63020	0.63020
10	0.38020	0.61980	0.38020
11	0.11980	0.88020	0.38020
12	0.36980	0.86980	0.63020
13	0.11980	0.11980	0.61980
14	0.86980	0.13020	0.86980
15	0.13020	0.86980	0.86980
16	0.38020	0.38020	0.61980
(1/2,0,1/2) + set click here to show and hide
17	0.63020	0.13020	0.63020
18	0.88020	0.11980	0.38020
19	0.61980	0.38020	0.38020
20	0.86980	0.36980	0.63020
21	0.61980	0.61980	0.61980
22	0.36980	0.63020	0.86980
23	0.63020	0.36980	0.86980
24	0.88020	0.88020	0.61980
(1/2,1/2,0) + set click here to show and hide
25	0.63020	0.63020	0.13020
26	0.88020	0.61980	0.88020
27	0.61980	0.88020	0.88020
28	0.86980	0.86980	0.13020
29	0.61980	0.11980	0.11980
30	0.36980	0.13020	0.36980
31	0.63020	0.86980	0.36980
32	0.88020	0.38020	0.11980

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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	0,0,m_z	0.0	0.0	3.16(7)	3.16
Fe2	Fe	0.37500	0.37500	0.37500	16	m_x,m_x,m_z	0.0	0.0	-3.24(5)	3.24

[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	4

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

Fe₃S₄ (#0.1051)

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

Fe3S4 (#0.1051)

Fe₃S₄ (#0.1051)