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

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Symmetry operations of the magnetic point group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,-y,z,+1	2₀₀₁
4	-x,y,-z,+1	2₀₁₀
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	2'₀₀₁
8	-x,y,-z,-1	2'₀₁₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ho1_1	Ho	0.00000	0.00000	0.00000	4	0,0,m_z	0.0	0.0	4.57(6)	4.57
Ho1_2	Ho	0.00000	0.25000	0.50000	4	m_x,0,0	0.0	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cu1_1	Cu	0.62456	0.31228	0.62456	16
Cu1_2	Cu	0.62457	0.56228	0.12457	16
In1	In	0.25000	0.12500	0.25000	8

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 Ho1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	4.57000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.50000	0,0,m_z	0.00000	0.00000	4.57000
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.50000	0.00000	0,0,-m_z	0.00000	0.00000	-4.57000
(1/2,0,1/2)' + set click here to show and hide
4	0.50000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-4.57000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ho1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.50000	m_x,0,0	0.00000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.75000	0.00000	m_x,0,0	0.00000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.75000	0.50000	-m_x,0,0	0.00000	0.00000	0.00000
(1/2,0,1/2)' + set click here to show and hide
4	0.50000	0.25000	0.00000	-m_x,0,0	0.00000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Cu1_1:

Atom	x	y	z
1	0.62456	0.31228	0.62456
2	0.62456	0.18772	0.37544
3	0.37544	0.68772	0.62456
4	0.87544	0.31228	0.87544
(1/2,1/2,1/2) + set click here to show and hide
5	0.12456	0.81228	0.12456
6	0.12456	0.68772	0.87544
7	0.87544	0.18772	0.12456
8	0.37544	0.81228	0.37544
(0,1/2,0)' + set click here to show and hide
9	0.62456	0.81228	0.62456
10	0.62456	0.68772	0.37544
11	0.37544	0.18772	0.62456
12	0.87544	0.81228	0.87544
(1/2,0,1/2)' + set click here to show and hide
13	0.12456	0.31228	0.12456
14	0.12456	0.18772	0.87544
15	0.87544	0.68772	0.12456
16	0.37544	0.31228	0.37544

Set of atoms in the unit cell related by symmetry with the atom Cu1_2:

Atom	x	y	z
1	0.62457	0.56228	0.12457
2	0.62457	0.93772	0.87543
3	0.37543	0.43772	0.12457
4	0.87543	0.56228	0.37543
(1/2,1/2,1/2) + set click here to show and hide
5	0.12457	0.06228	0.62457
6	0.12457	0.43772	0.37543
7	0.87543	0.93772	0.62457
8	0.37543	0.06228	0.87543
(0,1/2,0)' + set click here to show and hide
9	0.62457	0.06228	0.12457
10	0.62457	0.43772	0.87543
11	0.37543	0.93772	0.12457
12	0.87543	0.06228	0.37543
(1/2,0,1/2)' + set click here to show and hide
13	0.12457	0.56228	0.62457
14	0.12457	0.93772	0.37543
15	0.87543	0.43772	0.62457
16	0.37543	0.56228	0.87543

Set of atoms in the unit cell related by symmetry with the atom In1:

Atom	x	y	z
1	0.25000	0.12500	0.25000
2	0.25000	0.37500	0.75000
(1/2,1/2,1/2) + set click here to show and hide
3	0.75000	0.62500	0.75000
4	0.75000	0.87500	0.25000
(0,1/2,0)' + set click here to show and hide
5	0.25000	0.62500	0.25000
6	0.25000	0.87500	0.75000
(1/2,0,1/2)' + set click here to show and hide
7	0.75000	0.12500	0.75000
8	0.75000	0.37500	0.25000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ho1_1	Ho	0.00000	0.00000	0.00000	4	0,0,m_z	0.0	0.0	4.57(6)	4.57
Ho1_2	Ho	0.00000	0.25000	0.50000	4	m_x,0,0	0.0	0.0	0.0	0.00

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