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	y,x,z,-1	{ m'_1-10 \| 0 }
5	x,z,y,-1	{ m'_01-1 \| 0 }
6	z,y,x,-1	{ m'_-101 \| 0 }
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7	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
8	z,x+1/2,y+1/2,+1	{ 3⁺₁₁₁ \| 0 1/2 1/2 }
9	y,z+1/2,x+1/2,+1	{ 3^-₁₁₁ \| 0 1/2 1/2 }
10	y,x+1/2,z+1/2,-1	{ m'_1-10 \| 0 1/2 1/2 }
11	x,z+1/2,y+1/2,-1	{ m'_01-1 \| 0 1/2 1/2 }
12	z,y+1/2,x+1/2,-1	{ m'_-101 \| 0 1/2 1/2 }
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13	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
14	z+1/2,x,y+1/2,+1	{ 3⁺₁₁₁ \| 1/2 0 1/2 }
15	y+1/2,z,x+1/2,+1	{ 3^-₁₁₁ \| 1/2 0 1/2 }
16	y+1/2,x,z+1/2,-1	{ m'_1-10 \| 1/2 0 1/2 }
17	x+1/2,z,y+1/2,-1	{ m'_01-1 \| 1/2 0 1/2 }
18	z+1/2,y,x+1/2,-1	{ m'_-101 \| 1/2 0 1/2 }
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19	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
20	z+1/2,x+1/2,y,+1	{ 3⁺₁₁₁ \| 1/2 1/2 0 }
21	y+1/2,z+1/2,x,+1	{ 3^-₁₁₁ \| 1/2 1/2 0 }
22	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }
23	x+1/2,z+1/2,y,-1	{ m'_01-1 \| 1/2 1/2 0 }
24	z+1/2,y+1/2,x,-1	{ m'_-101 \| 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	y,x,z,-1	m'_1-10
5	x,z,y,-1	m'_01-1
6	z,y,x,-1	m'_-101

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co	Co	0.25	0.25	0.25		4	m_x,m_x,m_x	0.8(5)	0.8(5)	0.8(5)	1.39
Fe	Fe	0.75	0.75	0.75	0.875	4	m_x,m_x,m_x	0.4(3)	0.4(3)	0.4(3)	0.69
Fe1	Fe	0.5	0.5	0.5	0.125	4	m_x,m_x,m_x	1.4(5)	1.4(5)	1.4(5)	2.42
V	V	0.5	0.5	0.5	0.875	4	m_x,m_x,m_x	1.4(5)	1.4(5)	1.4(5)	2.42
V1	V	0.75	0.75	0.75	0.125	4	m_x,m_x,m_x	0.4(3)	0.4(3)	0.4(3)	0.69

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sb	Sb	0	0	0	1	4

[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 Co:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.25000	m_x,m_x,m_x	0.80000	0.80000	0.80000
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2	0.25000	0.75000	0.75000	m_x,m_x,m_x	0.80000	0.80000	0.80000
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3	0.75000	0.25000	0.75000	m_x,m_x,m_x	0.80000	0.80000	0.80000
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4	0.75000	0.75000	0.25000	m_x,m_x,m_x	0.80000	0.80000	0.80000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75000	0.75000	0.75000	m_x,m_x,m_x	0.40000	0.40000	0.40000
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2	0.75000	0.25000	0.25000	m_x,m_x,m_x	0.40000	0.40000	0.40000
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3	0.25000	0.75000	0.25000	m_x,m_x,m_x	0.40000	0.40000	0.40000
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4	0.25000	0.25000	0.75000	m_x,m_x,m_x	0.40000	0.40000	0.40000

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	0.50000	0.50000	0.50000	m_x,m_x,m_x	1.40000	1.40000	1.40000
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2	0.50000	0.00000	0.00000	m_x,m_x,m_x	1.40000	1.40000	1.40000
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3	0.00000	0.50000	0.00000	m_x,m_x,m_x	1.40000	1.40000	1.40000
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4	0.00000	0.00000	0.50000	m_x,m_x,m_x	1.40000	1.40000	1.40000

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

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_x	1.40000	1.40000	1.40000
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2	0.50000	0.00000	0.00000	m_x,m_x,m_x	1.40000	1.40000	1.40000
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3	0.00000	0.50000	0.00000	m_x,m_x,m_x	1.40000	1.40000	1.40000
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4	0.00000	0.00000	0.50000	m_x,m_x,m_x	1.40000	1.40000	1.40000

Set of atoms in the unit cell related by symmetry with the magnetic atom V1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75000	0.75000	0.75000	m_x,m_x,m_x	0.40000	0.40000	0.40000
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2	0.75000	0.25000	0.25000	m_x,m_x,m_x	0.40000	0.40000	0.40000
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3	0.25000	0.75000	0.25000	m_x,m_x,m_x	0.40000	0.40000	0.40000
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4	0.25000	0.25000	0.75000	m_x,m_x,m_x	0.40000	0.40000	0.40000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.00000	0.00000
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2	0.00000	0.50000	0.50000
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3	0.50000	0.00000	0.50000
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4	0.50000	0.50000	0.00000

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co	Co	0.25	0.25	0.25		4	m_x,m_x,m_x	0.8(5)	0.8(5)	0.8(5)	1.39
Fe	Fe	0.75	0.75	0.75	0.875	4	m_x,m_x,m_x	0.4(3)	0.4(3)	0.4(3)	0.69
Fe1	Fe	0.5	0.5	0.5	0.125	4	m_x,m_x,m_x	1.4(5)	1.4(5)	1.4(5)	2.42
V	V	0.5	0.5	0.5	0.875	4	m_x,m_x,m_x	1.4(5)	1.4(5)	1.4(5)	2.42
V1	V	0.75	0.75	0.75	0.125	4	m_x,m_x,m_x	0.4(3)	0.4(3)	0.4(3)	0.69

[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: