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	z,x,y,+1	{ 3⁺₁₁₁ \| 0 }
3	y,z,x,+1	{ 3^-₁₁₁ \| 0 }
4	-x,-y,-z,+1	{ -1 \| 0 }
5	-z,-x,-y,+1	{ -3⁺₁₁₁ \| 0 }
6	-y,-z,-x,+1	{ -3^-₁₁₁ \| 0 }
7	-z,-y,-x,-1	{ 2'_-101 \| 0 }
8	-x,-z,-y,-1	{ 2'_01-1 \| 0 }
9	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
10	z,y,x,-1	{ m'_-101 \| 0 }
11	x,z,y,-1	{ m'_01-1 \| 0 }
12	y,x,z,-1	{ m'_1-10 \| 0 }
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13	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
14	z,x+1/2,y+1/2,+1	{ 3⁺₁₁₁ \| 0 1/2 1/2 }
15	y,z+1/2,x+1/2,+1	{ 3^-₁₁₁ \| 0 1/2 1/2 }
16	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
17	-z,-x+1/2,-y+1/2,+1	{ -3⁺₁₁₁ \| 0 1/2 1/2 }
18	-y,-z+1/2,-x+1/2,+1	{ -3^-₁₁₁ \| 0 1/2 1/2 }
19	-z,-y+1/2,-x+1/2,-1	{ 2'_-101 \| 0 1/2 1/2 }
20	-x,-z+1/2,-y+1/2,-1	{ 2'_01-1 \| 0 1/2 1/2 }
21	-y,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 0 1/2 1/2 }
22	z,y+1/2,x+1/2,-1	{ m'_-101 \| 0 1/2 1/2 }
23	x,z+1/2,y+1/2,-1	{ m'_01-1 \| 0 1/2 1/2 }
24	y,x+1/2,z+1/2,-1	{ m'_1-10 \| 0 1/2 1/2 }
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25	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
26	z+1/2,x,y+1/2,+1	{ 3⁺₁₁₁ \| 1/2 0 1/2 }
27	y+1/2,z,x+1/2,+1	{ 3^-₁₁₁ \| 1/2 0 1/2 }
28	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
29	-z+1/2,-x,-y+1/2,+1	{ -3⁺₁₁₁ \| 1/2 0 1/2 }
30	-y+1/2,-z,-x+1/2,+1	{ -3^-₁₁₁ \| 1/2 0 1/2 }
31	-z+1/2,-y,-x+1/2,-1	{ 2'_-101 \| 1/2 0 1/2 }
32	-x+1/2,-z,-y+1/2,-1	{ 2'_01-1 \| 1/2 0 1/2 }
33	-y+1/2,-x,-z+1/2,-1	{ 2'_1-10 \| 1/2 0 1/2 }
34	z+1/2,y,x+1/2,-1	{ m'_-101 \| 1/2 0 1/2 }
35	x+1/2,z,y+1/2,-1	{ m'_01-1 \| 1/2 0 1/2 }
36	y+1/2,x,z+1/2,-1	{ m'_1-10 \| 1/2 0 1/2 }
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37	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
38	z+1/2,x+1/2,y,+1	{ 3⁺₁₁₁ \| 1/2 1/2 0 }
39	y+1/2,z+1/2,x,+1	{ 3^-₁₁₁ \| 1/2 1/2 0 }
40	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
41	-z+1/2,-x+1/2,-y,+1	{ -3⁺₁₁₁ \| 1/2 1/2 0 }
42	-y+1/2,-z+1/2,-x,+1	{ -3^-₁₁₁ \| 1/2 1/2 0 }
43	-z+1/2,-y+1/2,-x,-1	{ 2'_-101 \| 1/2 1/2 0 }
44	-x+1/2,-z+1/2,-y,-1	{ 2'_01-1 \| 1/2 1/2 0 }
45	-y+1/2,-x+1/2,-z,-1	{ 2'_1-10 \| 1/2 1/2 0 }
46	z+1/2,y+1/2,x,-1	{ m'_-101 \| 1/2 1/2 0 }
47	x+1/2,z+1/2,y,-1	{ m'_01-1 \| 1/2 1/2 0 }
48	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	z,x,y,+1	3⁺₁₁₁
3	y,z,x,+1	3^-₁₁₁
4	-x,-y,-z,+1	-1
5	-z,-x,-y,+1	-3⁺₁₁₁
6	-y,-z,-x,+1	-3^-₁₁₁
7	-z,-y,-x,-1	2'_-101
8	-x,-z,-y,-1	2'_01-1
9	-y,-x,-z,-1	2'_1-10
10	z,y,x,-1	m'_-101
11	x,z,y,-1	m'_01-1
12	y,x,z,-1	m'_1-10

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.125	0.125	0.125		8	m_x,m_x,m_x	-2.1	-2.1	-2.1	3.64
Fe1	Fe	0.125	0.125	0.125	0.87(3)	8	m_x,m_x,m_x	-2.1	-2.1	-2.1	3.64
Mn2_1	Mn	0	0	0.5	0.44(2)	4	m_x,m_x,m_x	2.5	2.5	2.5	4.33
Fe2_1	Fe	0	0	0.5	0.56(2)	4	m_x,m_x,m_x	2.5	2.5	2.5	4.33
Mn2_2	Mn	0	0.25	0.75	0.44(2)	12	m_x,m_x,m_z	2.5	2.5	2.5	4.33
Fe2_2	Fe	0	0.25	0.75	0.56(2)	12	m_x,m_x,m_z	2.5	2.5	2.5	4.33

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
O1_1	O	0.00695	0.00695	0.24305	1	24
O1_2	O	0.24305	0.24305	0.24305	1	8

[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 Mn1:

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_x	-2.10000	-2.10000	-2.10000
2	0.87500	0.87500	0.87500	m_x,m_x,m_x	-2.10000	-2.10000	-2.10000
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3	0.12500	0.62500	0.62500	m_x,m_x,m_x	-2.10000	-2.10000	-2.10000
4	0.87500	0.37500	0.37500	m_x,m_x,m_x	-2.10000	-2.10000	-2.10000
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5	0.62500	0.12500	0.62500	m_x,m_x,m_x	-2.10000	-2.10000	-2.10000
6	0.37500	0.87500	0.37500	m_x,m_x,m_x	-2.10000	-2.10000	-2.10000
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7	0.62500	0.62500	0.12500	m_x,m_x,m_x	-2.10000	-2.10000	-2.10000
8	0.37500	0.37500	0.87500	m_x,m_x,m_x	-2.10000	-2.10000	-2.10000

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_x	-2.10000	-2.10000	-2.10000
2	0.87500	0.87500	0.87500	m_x,m_x,m_x	-2.10000	-2.10000	-2.10000
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3	0.12500	0.62500	0.62500	m_x,m_x,m_x	-2.10000	-2.10000	-2.10000
4	0.87500	0.37500	0.37500	m_x,m_x,m_x	-2.10000	-2.10000	-2.10000
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5	0.62500	0.12500	0.62500	m_x,m_x,m_x	-2.10000	-2.10000	-2.10000
6	0.37500	0.87500	0.37500	m_x,m_x,m_x	-2.10000	-2.10000	-2.10000
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7	0.62500	0.62500	0.12500	m_x,m_x,m_x	-2.10000	-2.10000	-2.10000
8	0.37500	0.37500	0.87500	m_x,m_x,m_x	-2.10000	-2.10000	-2.10000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	m_x,m_x,m_x	2.50000	2.50000	2.50000
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2	0.00000	0.50000	0.00000	m_x,m_x,m_x	2.50000	2.50000	2.50000
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3	0.50000	0.00000	0.00000	m_x,m_x,m_x	2.50000	2.50000	2.50000
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4	0.50000	0.50000	0.50000	m_x,m_x,m_x	2.50000	2.50000	2.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	m_x,m_x,m_x	2.50000	2.50000	2.50000
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2	0.00000	0.50000	0.00000	m_x,m_x,m_x	2.50000	2.50000	2.50000
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3	0.50000	0.00000	0.00000	m_x,m_x,m_x	2.50000	2.50000	2.50000
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4	0.50000	0.50000	0.50000	m_x,m_x,m_x	2.50000	2.50000	2.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.75000	m_x,m_x,m_z	2.50000	2.50000	2.50000
2	0.75000	0.00000	0.25000	m_z,m_x,m_x	2.50000	2.50000	2.50000
3	0.25000	0.75000	0.00000	m_x,m_z,m_x	2.50000	2.50000	2.50000
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4	0.00000	0.75000	0.25000	m_x,m_x,m_z	2.50000	2.50000	2.50000
5	0.75000	0.50000	0.75000	m_z,m_x,m_x	2.50000	2.50000	2.50000
6	0.25000	0.25000	0.50000	m_x,m_z,m_x	2.50000	2.50000	2.50000
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7	0.50000	0.25000	0.25000	m_x,m_x,m_z	2.50000	2.50000	2.50000
8	0.25000	0.00000	0.75000	m_z,m_x,m_x	2.50000	2.50000	2.50000
9	0.75000	0.75000	0.50000	m_x,m_z,m_x	2.50000	2.50000	2.50000
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10	0.50000	0.75000	0.75000	m_x,m_x,m_z	2.50000	2.50000	2.50000
11	0.25000	0.50000	0.25000	m_z,m_x,m_x	2.50000	2.50000	2.50000
12	0.75000	0.25000	0.00000	m_x,m_z,m_x	2.50000	2.50000	2.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.75000	m_x,m_x,m_z	2.50000	2.50000	2.50000
2	0.75000	0.00000	0.25000	m_z,m_x,m_x	2.50000	2.50000	2.50000
3	0.25000	0.75000	0.00000	m_x,m_z,m_x	2.50000	2.50000	2.50000
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4	0.00000	0.75000	0.25000	m_x,m_x,m_z	2.50000	2.50000	2.50000
5	0.75000	0.50000	0.75000	m_z,m_x,m_x	2.50000	2.50000	2.50000
6	0.25000	0.25000	0.50000	m_x,m_z,m_x	2.50000	2.50000	2.50000
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7	0.50000	0.25000	0.25000	m_x,m_x,m_z	2.50000	2.50000	2.50000
8	0.25000	0.00000	0.75000	m_z,m_x,m_x	2.50000	2.50000	2.50000
9	0.75000	0.75000	0.50000	m_x,m_z,m_x	2.50000	2.50000	2.50000
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10	0.50000	0.75000	0.75000	m_x,m_x,m_z	2.50000	2.50000	2.50000
11	0.25000	0.50000	0.25000	m_z,m_x,m_x	2.50000	2.50000	2.50000
12	0.75000	0.25000	0.00000	m_x,m_z,m_x	2.50000	2.50000	2.50000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.00695	0.00695	0.24305
2	0.24305	0.00695	0.00695
3	0.00695	0.24305	0.00695
4	0.99305	0.99305	0.75695
5	0.75695	0.99305	0.99305
6	0.99305	0.75695	0.99305
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7	0.00695	0.50695	0.74305
8	0.24305	0.50695	0.50695
9	0.00695	0.74305	0.50695
10	0.99305	0.49305	0.25695
11	0.75695	0.49305	0.49305
12	0.99305	0.25695	0.49305
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13	0.50695	0.00695	0.74305
14	0.74305	0.00695	0.50695
15	0.50695	0.24305	0.50695
16	0.49305	0.99305	0.25695
17	0.25695	0.99305	0.49305
18	0.49305	0.75695	0.49305
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19	0.50695	0.50695	0.24305
20	0.74305	0.50695	0.00695
21	0.50695	0.74305	0.00695
22	0.49305	0.49305	0.75695
23	0.25695	0.49305	0.99305
24	0.49305	0.25695	0.99305

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.24305	0.24305	0.24305
2	0.75695	0.75695	0.75695
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3	0.24305	0.74305	0.74305
4	0.75695	0.25695	0.25695
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5	0.74305	0.24305	0.74305
6	0.25695	0.75695	0.25695
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7	0.74305	0.74305	0.24305
8	0.25695	0.25695	0.75695

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.125	0.125	0.125		8	m_x,m_x,m_x	-2.1	-2.1	-2.1	3.64
Fe1	Fe	0.125	0.125	0.125	0.87(3)	8	m_x,m_x,m_x	-2.1	-2.1	-2.1	3.64
Mn2_1	Mn	0	0	0.5	0.44(2)	4	m_x,m_x,m_x	2.5	2.5	2.5	4.33
Fe2_1	Fe	0	0	0.5	0.56(2)	4	m_x,m_x,m_x	2.5	2.5	2.5	4.33
Mn2_2	Mn	0	0.25	0.75	0.44(2)	12	m_x,m_x,m_z	2.5	2.5	2.5	4.33
Fe2_2	Fe	0	0.25	0.75	0.56(2)	12	m_x,m_x,m_z	2.5	2.5	2.5	4.33

[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: