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

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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	2'₀₁₀
12	x,-y,-z,-1	2'₁₀₀
13	-y,-x,z,-1	m'₁₁₀
14	y,x,z,-1	m'_1-10
15	x,-y,z,-1	m'₀₁₀
16	-x,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Co1	Co	0.12500	0.12500	0.12500		8	0,0,m_z	-3.5	3.50
Fe1	Fe	0.12500	0.12500	0.12500	0.954	8	0,0,m_z	-3.5	3.50
Co2	Co	0.50000	0.50000	0.50000	0.477	16	m_x,m_x,m_z	3.6	3.60
Fe2	Fe	0.50000	0.50000	0.50000	0.523	16	m_x,m_x,m_z	3.6	3.60

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
O1	O	0.25634	0.25634	0.25634	1.	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 Co1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12500	0.12500	0.12500	0,0,m_z	0.00000	0.00000	-3.50000
2	0.87500	0.37500	0.37500	0,0,m_z	0.00000	0.00000	-3.50000
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3	0.12500	0.62500	0.62500	0,0,m_z	0.00000	0.00000	-3.50000
4	0.87500	0.87500	0.87500	0,0,m_z	0.00000	0.00000	-3.50000
(1/2,0,1/2) + set click here to show and hide
5	0.62500	0.12500	0.62500	0,0,m_z	0.00000	0.00000	-3.50000
6	0.37500	0.37500	0.87500	0,0,m_z	0.00000	0.00000	-3.50000
(1/2,1/2,0) + set click here to show and hide
7	0.62500	0.62500	0.12500	0,0,m_z	0.00000	0.00000	-3.50000
8	0.37500	0.87500	0.37500	0,0,m_z	0.00000	0.00000	-3.50000

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	0,0,m_z	0.00000	0.00000	-3.50000
2	0.87500	0.37500	0.37500	0,0,m_z	0.00000	0.00000	-3.50000
(0,1/2,1/2) + set click here to show and hide
3	0.12500	0.62500	0.62500	0,0,m_z	0.00000	0.00000	-3.50000
4	0.87500	0.87500	0.87500	0,0,m_z	0.00000	0.00000	-3.50000
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5	0.62500	0.12500	0.62500	0,0,m_z	0.00000	0.00000	-3.50000
6	0.37500	0.37500	0.87500	0,0,m_z	0.00000	0.00000	-3.50000
(1/2,1/2,0) + set click here to show and hide
7	0.62500	0.62500	0.12500	0,0,m_z	0.00000	0.00000	-3.50000
8	0.37500	0.87500	0.37500	0,0,m_z	0.00000	0.00000	-3.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.50000	0.50000	m_x,m_x,m_z	0.00000	0.00000	3.60000
2	0.50000	0.75000	0.75000	-m_x,m_x,m_z	0.00000	0.00000	3.60000
3	0.75000	0.50000	0.75000	m_x,-m_x,m_z	0.00000	0.00000	3.60000
4	0.75000	0.75000	0.50000	-m_x,-m_x,m_z	0.00000	0.00000	3.60000
(0,1/2,1/2) + set click here to show and hide
5	0.50000	0.00000	0.00000	m_x,m_x,m_z	0.00000	0.00000	3.60000
6	0.50000	0.25000	0.25000	-m_x,m_x,m_z	0.00000	0.00000	3.60000
7	0.75000	0.00000	0.25000	m_x,-m_x,m_z	0.00000	0.00000	3.60000
8	0.75000	0.25000	0.00000	-m_x,-m_x,m_z	0.00000	0.00000	3.60000
(1/2,0,1/2) + set click here to show and hide
9	0.00000	0.50000	0.00000	m_x,m_x,m_z	0.00000	0.00000	3.60000
10	0.00000	0.75000	0.25000	-m_x,m_x,m_z	0.00000	0.00000	3.60000
11	0.25000	0.50000	0.25000	m_x,-m_x,m_z	0.00000	0.00000	3.60000
12	0.25000	0.75000	0.00000	-m_x,-m_x,m_z	0.00000	0.00000	3.60000
(1/2,1/2,0) + set click here to show and hide
13	0.00000	0.00000	0.50000	m_x,m_x,m_z	0.00000	0.00000	3.60000
14	0.00000	0.25000	0.75000	-m_x,m_x,m_z	0.00000	0.00000	3.60000
15	0.25000	0.00000	0.75000	m_x,-m_x,m_z	0.00000	0.00000	3.60000
16	0.25000	0.25000	0.50000	-m_x,-m_x,m_z	0.00000	0.00000	3.60000

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	0.50000	0.50000	0.50000	m_x,m_x,m_z	0.00000	0.00000	3.60000
2	0.50000	0.75000	0.75000	-m_x,m_x,m_z	0.00000	0.00000	3.60000
3	0.75000	0.50000	0.75000	m_x,-m_x,m_z	0.00000	0.00000	3.60000
4	0.75000	0.75000	0.50000	-m_x,-m_x,m_z	0.00000	0.00000	3.60000
(0,1/2,1/2) + set click here to show and hide
5	0.50000	0.00000	0.00000	m_x,m_x,m_z	0.00000	0.00000	3.60000
6	0.50000	0.25000	0.25000	-m_x,m_x,m_z	0.00000	0.00000	3.60000
7	0.75000	0.00000	0.25000	m_x,-m_x,m_z	0.00000	0.00000	3.60000
8	0.75000	0.25000	0.00000	-m_x,-m_x,m_z	0.00000	0.00000	3.60000
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9	0.00000	0.50000	0.00000	m_x,m_x,m_z	0.00000	0.00000	3.60000
10	0.00000	0.75000	0.25000	-m_x,m_x,m_z	0.00000	0.00000	3.60000
11	0.25000	0.50000	0.25000	m_x,-m_x,m_z	0.00000	0.00000	3.60000
12	0.25000	0.75000	0.00000	-m_x,-m_x,m_z	0.00000	0.00000	3.60000
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13	0.00000	0.00000	0.50000	m_x,m_x,m_z	0.00000	0.00000	3.60000
14	0.00000	0.25000	0.75000	-m_x,m_x,m_z	0.00000	0.00000	3.60000
15	0.25000	0.00000	0.75000	m_x,-m_x,m_z	0.00000	0.00000	3.60000
16	0.25000	0.25000	0.50000	-m_x,-m_x,m_z	0.00000	0.00000	3.60000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.25634	0.25634	0.25634
2	0.74366	0.50634	0.50634
3	0.50634	0.74366	0.50634
4	0.99366	0.99366	0.25634
5	0.24366	0.74366	0.24366
6	0.75634	0.49366	0.99366
7	0.99366	0.25634	0.99366
8	0.00634	0.50634	0.24366
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9	0.25634	0.75634	0.75634
10	0.74366	0.00634	0.00634
11	0.50634	0.24366	0.00634
12	0.99366	0.49366	0.75634
13	0.24366	0.24366	0.74366
14	0.75634	0.99366	0.49366
15	0.99366	0.75634	0.49366
16	0.00634	0.00634	0.74366
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17	0.75634	0.25634	0.75634
18	0.24366	0.50634	0.00634
19	0.00634	0.74366	0.00634
20	0.49366	0.99366	0.75634
21	0.74366	0.74366	0.74366
22	0.25634	0.49366	0.49366
23	0.49366	0.25634	0.49366
24	0.50634	0.50634	0.74366
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25	0.75634	0.75634	0.25634
26	0.24366	0.00634	0.50634
27	0.00634	0.24366	0.50634
28	0.49366	0.49366	0.25634
29	0.74366	0.24366	0.24366
30	0.25634	0.99366	0.99366
31	0.49366	0.75634	0.99366
32	0.50634	0.00634	0.24366

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Co1	Co	0.12500	0.12500	0.12500		8	0,0,m_z	-3.5	3.50
Fe1	Fe	0.12500	0.12500	0.12500	0.954	8	0,0,m_z	-3.5	3.50
Co2	Co	0.50000	0.50000	0.50000	0.477	16	m_x,m_x,m_z	3.6	3.60
Fe2	Fe	0.50000	0.50000	0.50000	0.523	16	m_x,m_x,m_z	3.6	3.60

[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: