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+1/4,-z+1/4,+1	{ 2₁₀₀ \| 0 1/4 1/4 }
3	-x+3/4,y,-z+3/4,+1	{ 2₀₁₀ \| 3/4 0 3/4 }
4	-x+3/4,-y+1/4,z+1/2,+1	{ 2₀₀₁ \| 3/4 1/4 1/2 }
(1/2,1/2,0) + set click here to show and hide
5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	x+1/2,-y+3/4,-z+1/4,+1	{ 2₁₀₀ \| 1/2 3/4 1/4 }
7	-x+1/4,y+1/2,-z+3/4,+1	{ 2₀₁₀ \| 1/4 1/2 3/4 }
8	-x+1/4,-y+3/4,z+1/2,+1	{ 2₀₀₁ \| 1/4 3/4 1/2 }
(0,1/2,1/2)' + set click here to show and hide
9	x,y+1/2,z+1/2,-1	{ 1' \| 0 1/2 1/2 }
10	x,-y+3/4,-z+3/4,-1	{ 2'₁₀₀ \| 0 3/4 3/4 }
11	-x+3/4,y+1/2,-z+1/4,-1	{ 2'₀₁₀ \| 3/4 1/2 1/4 }
12	-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
13	x+1/2,y,z+1/2,-1	{ 1' \| 1/2 0 1/2 }
14	x+1/2,-y+1/4,-z+3/4,-1	{ 2'₁₀₀ \| 1/2 1/4 3/4 }
15	-x+1/4,y,-z+1/4,-1	{ 2'₀₁₀ \| 1/4 0 1/4 }
16	-x+1/4,-y+1/4,z,-1	{ 2'₀₀₁ \| 1/4 1/4 0 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x,-y,-z,-1	2'₁₀₀
7	-x,y,-z,-1	2'₀₁₀
8	-x,-y,z,-1	2'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Ni1_1	Ni	0.12500	0.12500	0.12500	4	m_x,0,0	0.0	0.00
Ni1_2	Ni	0.87500	0.87500	0.87500	4	0,m_y,0	0.0	0.00
Cr1	Cr	0.50000	0.50000	0.50000	16	m_x,m_y,m_z	1.20(2)	1.20

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.2572(3)	0.2580(3)	0.2681(1)	16
O1_2	O	0.7428(3)	0.7420(3)	0.7319(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_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12500	0.12500	0.12500	m_x,0,0	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.62500	0.62500	0.12500	m_x,0,0	0.00000	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,0,0	0.00000	0.00000	0.00000
(1/2,0,1/2)' + set click here to show and hide
4	0.62500	0.12500	0.62500	-m_x,0,0	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.87500	0.87500	0.87500	0,m_y,0	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.37500	0.37500	0.87500	0,m_y,0	0.00000	0.00000	0.00000
(0,1/2,1/2)' + set click here to show and hide
3	0.87500	0.37500	0.37500	0,-m_y,0	0.00000	0.00000	0.00000
(1/2,0,1/2)' + set click here to show and hide
4	0.37500	0.87500	0.37500	0,-m_y,0	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr1:

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	0.00000	0.00000	1.20000
2	0.50000	0.75000	0.75000	m_x,-m_y,-m_z	0.00000	0.00000	-1.20000
3	0.25000	0.50000	0.25000	-m_x,m_y,-m_z	0.00000	0.00000	-1.20000
4	0.25000	0.75000	0.00000	-m_x,-m_y,m_z	0.00000	0.00000	1.20000
(1/2,1/2,0) + set click here to show and hide
5	0.00000	0.00000	0.50000	m_x,m_y,m_z	0.00000	0.00000	1.20000
6	0.00000	0.25000	0.75000	m_x,-m_y,-m_z	0.00000	0.00000	-1.20000
7	0.75000	0.00000	0.25000	-m_x,m_y,-m_z	0.00000	0.00000	-1.20000
8	0.75000	0.25000	0.00000	-m_x,-m_y,m_z	0.00000	0.00000	1.20000
(0,1/2,1/2)' + set click here to show and hide
9	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	-1.20000
10	0.50000	0.25000	0.25000	-m_x,m_y,m_z	0.00000	0.00000	1.20000
11	0.25000	0.00000	0.75000	m_x,-m_y,m_z	0.00000	0.00000	1.20000
12	0.25000	0.25000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	-1.20000
(1/2,0,1/2)' + set click here to show and hide
13	0.00000	0.50000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	-1.20000
14	0.00000	0.75000	0.25000	-m_x,m_y,m_z	0.00000	0.00000	1.20000
15	0.75000	0.50000	0.75000	m_x,-m_y,m_z	0.00000	0.00000	1.20000
16	0.75000	0.75000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	-1.20000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.25720	0.25800	0.26810
2	0.25720	0.99200	0.98190
3	0.49280	0.25800	0.48190
4	0.49280	0.99200	0.76810
(1/2,1/2,0) + set click here to show and hide
5	0.75720	0.75800	0.26810
6	0.75720	0.49200	0.98190
7	0.99280	0.75800	0.48190
8	0.99280	0.49200	0.76810
(0,1/2,1/2)' + set click here to show and hide
9	0.25720	0.75800	0.76810
10	0.25720	0.49200	0.48190
11	0.49280	0.75800	0.98190
12	0.49280	0.49200	0.26810
(1/2,0,1/2)' + set click here to show and hide
13	0.75720	0.25800	0.76810
14	0.75720	0.99200	0.48190
15	0.99280	0.25800	0.98190
16	0.99280	0.99200	0.26810

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

Atom	x	y	z
1	0.74280	0.74200	0.73190
2	0.74280	0.50800	0.51810
3	0.00720	0.74200	0.01810
4	0.00720	0.50800	0.23190
(1/2,1/2,0) + set click here to show and hide
5	0.24280	0.24200	0.73190
6	0.24280	0.00800	0.51810
7	0.50720	0.24200	0.01810
8	0.50720	0.00800	0.23190
(0,1/2,1/2)' + set click here to show and hide
9	0.74280	0.24200	0.23190
10	0.74280	0.00800	0.01810
11	0.00720	0.24200	0.51810
12	0.00720	0.00800	0.73190
(1/2,0,1/2)' + set click here to show and hide
13	0.24280	0.74200	0.23190
14	0.24280	0.50800	0.01810
15	0.50720	0.74200	0.51810
16	0.50720	0.50800	0.73190

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Ni1_1	Ni	0.12500	0.12500	0.12500	4	m_x,0,0	0.0	0.00
Ni1_2	Ni	0.87500	0.87500	0.87500	4	0,m_y,0	0.0	0.00
Cr1	Cr	0.50000	0.50000	0.50000	16	m_x,m_y,m_z	1.20(2)	1.20

[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:

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12500	0.12500	0.12500	m_x,0,0	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.62500	0.62500	0.12500	m_x,0,0	0.00000	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,0,0	0.00000	0.00000	0.00000
(1/2,0,1/2)' + set click here to show and hide
4	0.62500	0.12500	0.62500	-m_x,0,0	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.87500	0.87500	0.87500	0,m_y,0	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.37500	0.37500	0.87500	0,m_y,0	0.00000	0.00000	0.00000
(0,1/2,1/2)' + set click here to show and hide
3	0.87500	0.37500	0.37500	0,-m_y,0	0.00000	0.00000	0.00000
(1/2,0,1/2)' + set click here to show and hide
4	0.37500	0.87500	0.37500	0,-m_y,0	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr1:

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	0.00000	0.00000	1.20000
2	0.50000	0.75000	0.75000	m_x,-m_y,-m_z	0.00000	0.00000	-1.20000
3	0.25000	0.50000	0.25000	-m_x,m_y,-m_z	0.00000	0.00000	-1.20000
4	0.25000	0.75000	0.00000	-m_x,-m_y,m_z	0.00000	0.00000	1.20000
(1/2,1/2,0) + set click here to show and hide
5	0.00000	0.00000	0.50000	m_x,m_y,m_z	0.00000	0.00000	1.20000
6	0.00000	0.25000	0.75000	m_x,-m_y,-m_z	0.00000	0.00000	-1.20000
7	0.75000	0.00000	0.25000	-m_x,m_y,-m_z	0.00000	0.00000	-1.20000
8	0.75000	0.25000	0.00000	-m_x,-m_y,m_z	0.00000	0.00000	1.20000
(0,1/2,1/2)' + set click here to show and hide
9	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	-1.20000
10	0.50000	0.25000	0.25000	-m_x,m_y,m_z	0.00000	0.00000	1.20000
11	0.25000	0.00000	0.75000	m_x,-m_y,m_z	0.00000	0.00000	1.20000
12	0.25000	0.25000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	-1.20000
(1/2,0,1/2)' + set click here to show and hide
13	0.00000	0.50000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	-1.20000
14	0.00000	0.75000	0.25000	-m_x,m_y,m_z	0.00000	0.00000	1.20000
15	0.75000	0.50000	0.75000	m_x,-m_y,m_z	0.00000	0.00000	1.20000
16	0.75000	0.75000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	-1.20000

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label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mM4	2	2	special	primary	3
mM3	2	2	special	secondary	2	no

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

NiCr₂O₄ (#1.685)

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

NiCr2O4 (#1.685)

NiCr₂O₄ (#1.685)