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,z,+1	{ m_1-10 \| 0 }
3	-y+1/4,-x+1/4,z,-1	{ m'₁₁₀ \| 1/4 1/4 0 }
4	x+1/4,y+1/4,-z,-1	{ m'₀₀₁ \| 1/4 1/4 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	-y,-x,-z,+1	{ 2_1-10 \| 0 }
7	y+3/4,x+3/4,-z,-1	{ 2'₁₁₀ \| 3/4 3/4 0 }
8	-x+3/4,-y+3/4,z,-1	{ 2'₀₀₁ \| 3/4 3/4 0 }
(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	y+1/2,x,z+1/2,+1	{ m_1-10 \| 1/2 0 1/2 }
11	-y+3/4,-x+1/4,z+1/2,-1	{ m'₁₁₀ \| 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 }
13	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
14	-y+1/2,-x,-z+1/2,+1	{ 2_1-10 \| 1/2 0 1/2 }
15	y+1/4,x+3/4,-z+1/2,-1	{ 2'₁₁₀ \| 1/4 3/4 1/2 }
16	-x+1/4,-y+3/4,z+1/2,-1	{ 2'₀₀₁ \| 1/4 3/4 1/2 }
(1/2,1/2,0) + set click here to show and hide
17	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
18	y+1/2,x+1/2,z,+1	{ m_1-10 \| 1/2 1/2 0 }
19	-y+3/4,-x+3/4,z,-1	{ m'₁₁₀ \| 3/4 3/4 0 }
20	x+3/4,y+3/4,-z,-1	{ m'₀₀₁ \| 3/4 3/4 0 }
21	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
22	-y+1/2,-x+1/2,-z,+1	{ 2_1-10 \| 1/2 1/2 0 }
23	y+1/4,x+1/4,-z,-1	{ 2'₁₁₀ \| 1/4 1/4 0 }
24	-x+1/4,-y+1/4,z,-1	{ 2'₀₀₁ \| 1/4 1/4 0 }
(0,1/2,1/2) + set click here to show and hide
25	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
26	y,x+1/2,z+1/2,+1	{ m_1-10 \| 0 1/2 1/2 }
27	-y+1/4,-x+3/4,z+1/2,-1	{ m'₁₁₀ \| 1/4 3/4 1/2 }
28	x+1/4,y+3/4,-z+1/2,-1	{ m'₀₀₁ \| 1/4 3/4 1/2 }
29	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
30	-y,-x+1/2,-z+1/2,+1	{ 2_1-10 \| 0 1/2 1/2 }
31	y+3/4,x+1/4,-z+1/2,-1	{ 2'₁₁₀ \| 3/4 1/4 1/2 }
32	-x+3/4,-y+1/4,z+1/2,-1	{ 2'₀₀₁ \| 3/4 1/4 1/2 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	y,x,z,+1	m_1-10
3	-y,-x,z,-1	m'₁₁₀
4	x,y,-z,-1	m'₀₀₁
5	-x,-y,-z,+1	-1
6	-y,-x,-z,+1	2_1-10
7	y,x,-z,-1	2'₁₁₀
8	-x,-y,z,-1	2'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Mn1	Mn	0.12500	0.12500	0.12500	8	m_x,-m_x,0	-2.06(2)	2.06(2)	2.91
Cr1_1	Cr	0.50000	0.50000	0.50000	8	m_x,-m_x,m_z	0.90(6)	-0.90(6)	1.27
Cr1_2	Cr	0.75000	0.00000	0.25000	8	m_x,-m_x,0	0.72(3)	-0.72(3)	1.02

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.73616	0.73616	0.73616	16
O1_2	O	0.51384	0.23616	0.01384	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 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,0	-2.06000	2.06000	0.00000
2	0.37500	0.37500	0.87500	m_x,-m_x,0	-2.06000	2.06000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.62500	0.12500	0.62500	m_x,-m_x,0	-2.06000	2.06000	0.00000
4	0.87500	0.37500	0.37500	m_x,-m_x,0	-2.06000	2.06000	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.62500	0.62500	0.12500	m_x,-m_x,0	-2.06000	2.06000	0.00000
6	0.87500	0.87500	0.87500	m_x,-m_x,0	-2.06000	2.06000	0.00000
(0,1/2,1/2) + set click here to show and hide
7	0.12500	0.62500	0.62500	m_x,-m_x,0	-2.06000	2.06000	0.00000
8	0.37500	0.87500	0.37500	m_x,-m_x,0	-2.06000	2.06000	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_x,m_z	0.90000	-0.90000	0.00000
2	0.75000	0.75000	0.50000	m_x,-m_x,m_z	0.90000	-0.90000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.00000	0.50000	0.00000	m_x,-m_x,m_z	0.90000	-0.90000	0.00000
4	0.25000	0.75000	0.00000	m_x,-m_x,m_z	0.90000	-0.90000	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.00000	0.00000	0.50000	m_x,-m_x,m_z	0.90000	-0.90000	0.00000
6	0.25000	0.25000	0.50000	m_x,-m_x,m_z	0.90000	-0.90000	0.00000
(0,1/2,1/2) + set click here to show and hide
7	0.50000	0.00000	0.00000	m_x,-m_x,m_z	0.90000	-0.90000	0.00000
8	0.75000	0.25000	0.00000	m_x,-m_x,m_z	0.90000	-0.90000	0.00000

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	0.75000	0.00000	0.25000	m_x,-m_x,0	0.72000	-0.72000	0.00000
2	0.00000	0.75000	0.25000	m_x,-m_x,0	0.72000	-0.72000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.25000	0.00000	0.75000	m_x,-m_x,0	0.72000	-0.72000	0.00000
4	0.50000	0.75000	0.75000	m_x,-m_x,0	0.72000	-0.72000	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.25000	0.50000	0.25000	m_x,-m_x,0	0.72000	-0.72000	0.00000
6	0.50000	0.25000	0.25000	m_x,-m_x,0	0.72000	-0.72000	0.00000
(0,1/2,1/2) + set click here to show and hide
7	0.75000	0.50000	0.75000	m_x,-m_x,0	0.72000	-0.72000	0.00000
8	0.00000	0.25000	0.75000	m_x,-m_x,0	0.72000	-0.72000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.73616	0.73616	0.73616
2	0.51384	0.51384	0.73616
3	0.98616	0.98616	0.26384
4	0.26384	0.26384	0.26384
(1/2,0,1/2) + set click here to show and hide
5	0.23616	0.73616	0.23616
6	0.01384	0.51384	0.23616
7	0.48616	0.98616	0.76384
8	0.76384	0.26384	0.76384
(1/2,1/2,0) + set click here to show and hide
9	0.23616	0.23616	0.73616
10	0.01384	0.01384	0.73616
11	0.48616	0.48616	0.26384
12	0.76384	0.76384	0.26384
(0,1/2,1/2) + set click here to show and hide
13	0.73616	0.23616	0.23616
14	0.51384	0.01384	0.23616
15	0.98616	0.48616	0.76384
16	0.26384	0.76384	0.76384

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

Atom	x	y	z
1	0.51384	0.23616	0.01384
2	0.23616	0.51384	0.01384
3	0.76384	0.48616	0.98616
4	0.48616	0.76384	0.98616
(1/2,0,1/2) + set click here to show and hide
5	0.01384	0.23616	0.51384
6	0.73616	0.51384	0.51384
7	0.26384	0.48616	0.48616
8	0.98616	0.76384	0.48616
(1/2,1/2,0) + set click here to show and hide
9	0.01384	0.73616	0.01384
10	0.73616	0.01384	0.01384
11	0.26384	0.98616	0.98616
12	0.98616	0.26384	0.98616
(0,1/2,1/2) + set click here to show and hide
13	0.51384	0.73616	0.51384
14	0.23616	0.01384	0.51384
15	0.76384	0.98616	0.48616
16	0.48616	0.26384	0.48616

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Mn1	Mn	0.12500	0.12500	0.12500	8	m_x,-m_x,0	-2.06(2)	2.06(2)	2.91
Cr1_1	Cr	0.50000	0.50000	0.50000	8	m_x,-m_x,m_z	0.90(6)	-0.90(6)	1.27
Cr1_2	Cr	0.75000	0.00000	0.25000	8	m_x,-m_x,0	0.72(3)	-0.72(3)	1.02

[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 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,0	-2.06000	2.06000	0.00000
2	0.37500	0.37500	0.87500	m_x,-m_x,0	-2.06000	2.06000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.62500	0.12500	0.62500	m_x,-m_x,0	-2.06000	2.06000	0.00000
4	0.87500	0.37500	0.37500	m_x,-m_x,0	-2.06000	2.06000	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.62500	0.62500	0.12500	m_x,-m_x,0	-2.06000	2.06000	0.00000
6	0.87500	0.87500	0.87500	m_x,-m_x,0	-2.06000	2.06000	0.00000
(0,1/2,1/2) + set click here to show and hide
7	0.12500	0.62500	0.62500	m_x,-m_x,0	-2.06000	2.06000	0.00000
8	0.37500	0.87500	0.37500	m_x,-m_x,0	-2.06000	2.06000	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_x,m_z	0.90000	-0.90000	0.00000
2	0.75000	0.75000	0.50000	m_x,-m_x,m_z	0.90000	-0.90000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.00000	0.50000	0.00000	m_x,-m_x,m_z	0.90000	-0.90000	0.00000
4	0.25000	0.75000	0.00000	m_x,-m_x,m_z	0.90000	-0.90000	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.00000	0.00000	0.50000	m_x,-m_x,m_z	0.90000	-0.90000	0.00000
6	0.25000	0.25000	0.50000	m_x,-m_x,m_z	0.90000	-0.90000	0.00000
(0,1/2,1/2) + set click here to show and hide
7	0.50000	0.00000	0.00000	m_x,-m_x,m_z	0.90000	-0.90000	0.00000
8	0.75000	0.25000	0.00000	m_x,-m_x,m_z	0.90000	-0.90000	0.00000

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	0.75000	0.00000	0.25000	m_x,-m_x,0	0.72000	-0.72000	0.00000
2	0.00000	0.75000	0.25000	m_x,-m_x,0	0.72000	-0.72000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.25000	0.00000	0.75000	m_x,-m_x,0	0.72000	-0.72000	0.00000
4	0.50000	0.75000	0.75000	m_x,-m_x,0	0.72000	-0.72000	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.25000	0.50000	0.25000	m_x,-m_x,0	0.72000	-0.72000	0.00000
6	0.50000	0.25000	0.25000	m_x,-m_x,0	0.72000	-0.72000	0.00000
(0,1/2,1/2) + set click here to show and hide
7	0.75000	0.50000	0.75000	m_x,-m_x,0	0.72000	-0.72000	0.00000
8	0.00000	0.25000	0.75000	m_x,-m_x,0	0.72000	-0.72000	0.00000

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label	dim. full irrep	dim. small irrep	direction	action	number of modes
mGM4+	3	3	special	primary	4

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

MnCr₂O₄ (#0.989)

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

MnCr2O4 (#0.989)

MnCr₂O₄ (#0.989)