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 }
(0,1/2,1/2) + set click here to show and hide
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 }
(1/2,0,1/2) + set click here to show and hide
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 }
(1/2,1/2,0) + set click here to show and hide
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	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Cu1	Cu	0.12500	0.12500	0.12500	8	m_x,m_y,0	-0.85(9)	0.0	0.85
Cr1_1	Cr	0.50000	0.50000	0.50000	8	m_x,m_y,m_z	1.60(7)	2.07(3)	2.62
Cr1_2	Cr	0.25000	0.50000	0.25000	8	m_x,m_y,m_z	1.60(7)	-2.07(3)	2.62

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.2453(2)	0.268(1)	0.2680(1)	16
O1_2	O	0.2453(2)	-0.018(1)	-0.0180(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 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	-0.85000	0.00000	0.00000
2	0.87500	0.87500	0.87500	m_x,m_y,0	-0.85000	0.00000	0.00000
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3	0.12500	0.62500	0.62500	m_x,m_y,0	-0.85000	0.00000	0.00000
4	0.87500	0.37500	0.37500	m_x,m_y,0	-0.85000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.62500	0.12500	0.62500	m_x,m_y,0	-0.85000	0.00000	0.00000
6	0.37500	0.87500	0.37500	m_x,m_y,0	-0.85000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.62500	0.62500	0.12500	m_x,m_y,0	-0.85000	0.00000	0.00000
8	0.37500	0.37500	0.87500	m_x,m_y,0	-0.85000	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	1.60000	0.00000	2.07000
2	0.75000	0.75000	0.50000	m_x,m_y,-m_z	1.60000	0.00000	-2.07000
(0,1/2,1/2) + set click here to show and hide
3	0.50000	0.00000	0.00000	m_x,m_y,m_z	1.60000	0.00000	2.07000
4	0.75000	0.25000	0.00000	m_x,m_y,-m_z	1.60000	0.00000	-2.07000
(1/2,0,1/2) + set click here to show and hide
5	0.00000	0.50000	0.00000	m_x,m_y,m_z	1.60000	0.00000	2.07000
6	0.25000	0.75000	0.00000	m_x,m_y,-m_z	1.60000	0.00000	-2.07000
(1/2,1/2,0) + set click here to show and hide
7	0.00000	0.00000	0.50000	m_x,m_y,m_z	1.60000	0.00000	2.07000
8	0.25000	0.25000	0.50000	m_x,m_y,-m_z	1.60000	0.00000	-2.07000

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	1.60000	0.00000	-2.07000
2	0.00000	0.75000	0.25000	m_x,m_y,-m_z	1.60000	0.00000	2.07000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.00000	0.75000	m_x,m_y,m_z	1.60000	0.00000	-2.07000
4	0.00000	0.25000	0.75000	m_x,m_y,-m_z	1.60000	0.00000	2.07000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.50000	0.75000	m_x,m_y,m_z	1.60000	0.00000	-2.07000
6	0.50000	0.75000	0.75000	m_x,m_y,-m_z	1.60000	0.00000	2.07000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.00000	0.25000	m_x,m_y,m_z	1.60000	0.00000	-2.07000
8	0.50000	0.25000	0.25000	m_x,m_y,-m_z	1.60000	0.00000	2.07000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.24530	0.26800	0.26800
2	0.75470	0.73200	0.73200
3	0.00470	0.98200	0.26800
4	0.49530	0.51800	0.73200
(0,1/2,1/2) + set click here to show and hide
5	0.24530	0.76800	0.76800
6	0.75470	0.23200	0.23200
7	0.00470	0.48200	0.76800
8	0.49530	0.01800	0.23200
(1/2,0,1/2) + set click here to show and hide
9	0.74530	0.26800	0.76800
10	0.25470	0.73200	0.23200
11	0.50470	0.98200	0.76800
12	0.99530	0.51800	0.23200
(1/2,1/2,0) + set click here to show and hide
13	0.74530	0.76800	0.26800
14	0.25470	0.23200	0.73200
15	0.50470	0.48200	0.26800
16	0.99530	0.01800	0.73200

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

Atom	x	y	z
1	0.24530	0.98200	0.98200
2	0.75470	0.01800	0.01800
3	0.00470	0.26800	0.98200
4	0.49530	0.23200	0.01800
(0,1/2,1/2) + set click here to show and hide
5	0.24530	0.48200	0.48200
6	0.75470	0.51800	0.51800
7	0.00470	0.76800	0.48200
8	0.49530	0.73200	0.51800
(1/2,0,1/2) + set click here to show and hide
9	0.74530	0.98200	0.48200
10	0.25470	0.01800	0.51800
11	0.50470	0.26800	0.48200
12	0.99530	0.23200	0.51800
(1/2,1/2,0) + set click here to show and hide
13	0.74530	0.48200	0.98200
14	0.25470	0.51800	0.01800
15	0.50470	0.76800	0.98200
16	0.99530	0.73200	0.01800

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Cu1	Cu	0.12500	0.12500	0.12500	8	m_x,m_y,0	-0.85(9)	0.0	0.85
Cr1_1	Cr	0.50000	0.50000	0.50000	8	m_x,m_y,m_z	1.60(7)	2.07(3)	2.62
Cr1_2	Cr	0.25000	0.50000	0.25000	8	m_x,m_y,m_z	1.60(7)	-2.07(3)	2.62

[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:

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	-0.85000	0.00000	0.00000
2	0.87500	0.87500	0.87500	m_x,m_y,0	-0.85000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.12500	0.62500	0.62500	m_x,m_y,0	-0.85000	0.00000	0.00000
4	0.87500	0.37500	0.37500	m_x,m_y,0	-0.85000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.62500	0.12500	0.62500	m_x,m_y,0	-0.85000	0.00000	0.00000
6	0.37500	0.87500	0.37500	m_x,m_y,0	-0.85000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.62500	0.62500	0.12500	m_x,m_y,0	-0.85000	0.00000	0.00000
8	0.37500	0.37500	0.87500	m_x,m_y,0	-0.85000	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	1.60000	0.00000	2.07000
2	0.75000	0.75000	0.50000	m_x,m_y,-m_z	1.60000	0.00000	-2.07000
(0,1/2,1/2) + set click here to show and hide
3	0.50000	0.00000	0.00000	m_x,m_y,m_z	1.60000	0.00000	2.07000
4	0.75000	0.25000	0.00000	m_x,m_y,-m_z	1.60000	0.00000	-2.07000
(1/2,0,1/2) + set click here to show and hide
5	0.00000	0.50000	0.00000	m_x,m_y,m_z	1.60000	0.00000	2.07000
6	0.25000	0.75000	0.00000	m_x,m_y,-m_z	1.60000	0.00000	-2.07000
(1/2,1/2,0) + set click here to show and hide
7	0.00000	0.00000	0.50000	m_x,m_y,m_z	1.60000	0.00000	2.07000
8	0.25000	0.25000	0.50000	m_x,m_y,-m_z	1.60000	0.00000	-2.07000

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	1.60000	0.00000	-2.07000
2	0.00000	0.75000	0.25000	m_x,m_y,-m_z	1.60000	0.00000	2.07000
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3	0.25000	0.00000	0.75000	m_x,m_y,m_z	1.60000	0.00000	-2.07000
4	0.00000	0.25000	0.75000	m_x,m_y,-m_z	1.60000	0.00000	2.07000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.50000	0.75000	m_x,m_y,m_z	1.60000	0.00000	-2.07000
6	0.50000	0.75000	0.75000	m_x,m_y,-m_z	1.60000	0.00000	2.07000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.00000	0.25000	m_x,m_y,m_z	1.60000	0.00000	-2.07000
8	0.50000	0.25000	0.25000	m_x,m_y,-m_z	1.60000	0.00000	2.07000

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label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mGM3+	1	1		primary	3
mGM5+	2	2	special	primary	4
mGM2+	1	1		secondary	1	no

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

CuCr₂O₄ (#0.891)

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

CuCr2O4 (#0.891)

CuCr₂O₄ (#0.891)