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	-x,-y,-z,+1	{ -1 \| 0 }
3	-x+1/4,-y+1/4,z,-1	{ 2'₀₀₁ \| 1/4 1/4 0 }
4	x+1/4,y+1/4,-z,-1	{ m'₀₀₁ \| 1/4 1/4 0 }
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5	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
6	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
7	-x+1/4,-y+3/4,z+1/2,-1	{ 2'₀₀₁ \| 1/4 3/4 1/2 }
8	x+1/4,y+3/4,-z+1/2,-1	{ m'₀₀₁ \| 1/4 3/4 1/2 }
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9	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
10	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
11	-x+3/4,-y+1/4,z+1/2,-1	{ 2'₀₀₁ \| 3/4 1/4 1/2 }
12	x+3/4,y+1/4,-z+1/2,-1	{ m'₀₀₁ \| 3/4 1/4 1/2 }
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13	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
14	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
15	-x+3/4,-y+3/4,z,-1	{ 2'₀₀₁ \| 3/4 3/4 0 }
16	x+3/4,y+3/4,-z,-1	{ m'₀₀₁ \| 3/4 3/4 0 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
3	-x,-y,z,-1	2'₀₀₁
4	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Ni1	Ni	0.12500	0.12500	0.12500	0.85	8	m_x,m_y,0	-1.88(15)	0.0	1.88
Cu1	Cu	0.12500	0.12500	0.12500	0.15	8	m_x,m_y,0	-1.88(15)	0.0	1.88
Cr1_1	Cr	0.50000	0.50000	0.50000	1	8	m_x,m_y,m_z	1.23(10)	1.83(4)	2.20
Cr1_2	Cr	0.25000	0.50000	0.25000	1	8	m_x,m_y,m_z	1.23(7)	-1.83(4)	2.20

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
O1_1	O	0.2557(2)	0.2615(2)	0.2676(2)	1	16
O1_2	O	0.2557(2)	-0.0115(2)	-0.0176(2)	1	16

[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 Ni1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12500	0.12500	0.12500	m_x,m_y,0	-1.88000	0.00000	0.00000
2	0.87500	0.87500	0.87500	m_x,m_y,0	-1.88000	0.00000	0.00000
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3	0.12500	0.62500	0.62500	m_x,m_y,0	-1.88000	0.00000	0.00000
4	0.87500	0.37500	0.37500	m_x,m_y,0	-1.88000	0.00000	0.00000
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5	0.62500	0.12500	0.62500	m_x,m_y,0	-1.88000	0.00000	0.00000
6	0.37500	0.87500	0.37500	m_x,m_y,0	-1.88000	0.00000	0.00000
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7	0.62500	0.62500	0.12500	m_x,m_y,0	-1.88000	0.00000	0.00000
8	0.37500	0.37500	0.87500	m_x,m_y,0	-1.88000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12500	0.12500	0.12500	m_x,m_y,0	-1.88000	0.00000	0.00000
2	0.87500	0.87500	0.87500	m_x,m_y,0	-1.88000	0.00000	0.00000
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3	0.12500	0.62500	0.62500	m_x,m_y,0	-1.88000	0.00000	0.00000
4	0.87500	0.37500	0.37500	m_x,m_y,0	-1.88000	0.00000	0.00000
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5	0.62500	0.12500	0.62500	m_x,m_y,0	-1.88000	0.00000	0.00000
6	0.37500	0.87500	0.37500	m_x,m_y,0	-1.88000	0.00000	0.00000
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7	0.62500	0.62500	0.12500	m_x,m_y,0	-1.88000	0.00000	0.00000
8	0.37500	0.37500	0.87500	m_x,m_y,0	-1.88000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.50000	0.50000	m_x,m_y,m_z	1.23000	0.00000	1.83000
2	0.75000	0.75000	0.50000	m_x,m_y,-m_z	1.23000	0.00000	-1.83000
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3	0.50000	0.00000	0.00000	m_x,m_y,m_z	1.23000	0.00000	1.83000
4	0.75000	0.25000	0.00000	m_x,m_y,-m_z	1.23000	0.00000	-1.83000
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5	0.00000	0.50000	0.00000	m_x,m_y,m_z	1.23000	0.00000	1.83000
6	0.25000	0.75000	0.00000	m_x,m_y,-m_z	1.23000	0.00000	-1.83000
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7	0.00000	0.00000	0.50000	m_x,m_y,m_z	1.23000	0.00000	1.83000
8	0.25000	0.25000	0.50000	m_x,m_y,-m_z	1.23000	0.00000	-1.83000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.50000	0.25000	m_x,m_y,m_z	1.23000	0.00000	-1.83000
2	0.00000	0.75000	0.25000	m_x,m_y,-m_z	1.23000	0.00000	1.83000
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3	0.25000	0.00000	0.75000	m_x,m_y,m_z	1.23000	0.00000	-1.83000
4	0.00000	0.25000	0.75000	m_x,m_y,-m_z	1.23000	0.00000	1.83000
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5	0.75000	0.50000	0.75000	m_x,m_y,m_z	1.23000	0.00000	-1.83000
6	0.50000	0.75000	0.75000	m_x,m_y,-m_z	1.23000	0.00000	1.83000
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7	0.75000	0.00000	0.25000	m_x,m_y,m_z	1.23000	0.00000	-1.83000
8	0.50000	0.25000	0.25000	m_x,m_y,-m_z	1.23000	0.00000	1.83000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.25570	0.26150	0.26760
2	0.74430	0.73850	0.73240
3	0.99430	0.98850	0.26760
4	0.50570	0.51150	0.73240
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5	0.25570	0.76150	0.76760
6	0.74430	0.23850	0.23240
7	0.99430	0.48850	0.76760
8	0.50570	0.01150	0.23240
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9	0.75570	0.26150	0.76760
10	0.24430	0.73850	0.23240
11	0.49430	0.98850	0.76760
12	0.00570	0.51150	0.23240
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13	0.75570	0.76150	0.26760
14	0.24430	0.23850	0.73240
15	0.49430	0.48850	0.26760
16	0.00570	0.01150	0.73240

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

Atom	x	y	z
1	0.25570	0.98850	0.98240
2	0.74430	0.01150	0.01760
3	0.99430	0.26150	0.98240
4	0.50570	0.23850	0.01760
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5	0.25570	0.48850	0.48240
6	0.74430	0.51150	0.51760
7	0.99430	0.76150	0.48240
8	0.50570	0.73850	0.51760
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9	0.75570	0.98850	0.48240
10	0.24430	0.01150	0.51760
11	0.49430	0.26150	0.48240
12	0.00570	0.23850	0.51760
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13	0.75570	0.48850	0.98240
14	0.24430	0.51150	0.01760
15	0.49430	0.76150	0.98240
16	0.00570	0.73850	0.01760

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Ni1	Ni	0.12500	0.12500	0.12500	0.85	8	m_x,m_y,0	-1.88(15)	0.0	1.88
Cu1	Cu	0.12500	0.12500	0.12500	0.15	8	m_x,m_y,0	-1.88(15)	0.0	1.88
Cr1_1	Cr	0.50000	0.50000	0.50000	1	8	m_x,m_y,m_z	1.23(10)	1.83(4)	2.20
Cr1_2	Cr	0.25000	0.50000	0.25000	1	8	m_x,m_y,m_z	1.23(7)	-1.83(4)	2.20

[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: