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	{ 2₀₁₀ \| 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y,z,+1	{ m₀₁₀ \| 0 }
(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+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
7	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
8	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1_1	Ru	0.00000	0.16653	0.16667	8	m_x,m_y,m_z	0.43	0.0	0.3	0.44
Ru1_2	Ru	0.00000	0.16653	0.50000	4	0,m_y,0	0.0	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cl1_1	Cl	0.25040	0.17388	0.08873	8
Cl1_2	Cl	0.25040	0.17388	0.42207	8
Cl1_3	Cl	0.74960	0.17388	0.24460	8
Cl2_1	Cl	0.22730	0.00000	0.24530	4
Cl2_2	Cl	0.22730	0.00000	0.57863	4
Cl2_3	Cl	0.77270	0.00000	0.08803	4

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 Ru1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.16653	0.16667	m_x,m_y,m_z	0.43000	0.00000	0.30000
2	0.00000	0.16653	0.83333	-m_x,m_y,-m_z	-0.43000	0.00000	-0.30000
3	0.00000	0.83347	0.83333	m_x,m_y,m_z	0.43000	0.00000	0.30000
4	0.00000	0.83347	0.16667	-m_x,m_y,-m_z	-0.43000	0.00000	-0.30000
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5	0.50000	0.66653	0.16667	-m_x,-m_y,-m_z	-0.43000	0.00000	-0.30000
6	0.50000	0.66653	0.83333	m_x,-m_y,m_z	0.43000	0.00000	0.30000
7	0.50000	0.33347	0.83333	-m_x,-m_y,-m_z	-0.43000	0.00000	-0.30000
8	0.50000	0.33347	0.16667	m_x,-m_y,m_z	0.43000	0.00000	0.30000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ru1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.16653	0.50000	0,m_y,0	0.00000	0.00000	0.00000
2	0.00000	0.83347	0.50000	0,m_y,0	0.00000	0.00000	0.00000
(1/2,1/2,0)' + set click here to show and hide
3	0.50000	0.66653	0.50000	0,-m_y,0	0.00000	0.00000	0.00000
4	0.50000	0.33347	0.50000	0,-m_y,0	0.00000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Cl1_1:

Atom	x	y	z
1	0.25040	0.17388	0.08873
2	0.74960	0.17388	0.91127
3	0.74960	0.82612	0.91127
4	0.25040	0.82612	0.08873
(1/2,1/2,0)' + set click here to show and hide
5	0.75040	0.67388	0.08873
6	0.24960	0.67388	0.91127
7	0.24960	0.32612	0.91127
8	0.75040	0.32612	0.08873

Set of atoms in the unit cell related by symmetry with the atom Cl1_2:

Atom	x	y	z
1	0.25040	0.17388	0.42207
2	0.74960	0.17388	0.57793
3	0.74960	0.82612	0.57793
4	0.25040	0.82612	0.42207
(1/2,1/2,0)' + set click here to show and hide
5	0.75040	0.67388	0.42207
6	0.24960	0.67388	0.57793
7	0.24960	0.32612	0.57793
8	0.75040	0.32612	0.42207

Set of atoms in the unit cell related by symmetry with the atom Cl1_3:

Atom	x	y	z
1	0.74960	0.17388	0.24460
2	0.25040	0.17388	0.75540
3	0.25040	0.82612	0.75540
4	0.74960	0.82612	0.24460
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5	0.24960	0.67388	0.24460
6	0.75040	0.67388	0.75540
7	0.75040	0.32612	0.75540
8	0.24960	0.32612	0.24460

Set of atoms in the unit cell related by symmetry with the atom Cl2_1:

Atom	x	y	z
1	0.22730	0.00000	0.24530
2	0.77270	0.00000	0.75470
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3	0.72730	0.50000	0.24530
4	0.27270	0.50000	0.75470

Set of atoms in the unit cell related by symmetry with the atom Cl2_2:

Atom	x	y	z
1	0.22730	0.00000	0.57863
2	0.77270	0.00000	0.42137
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3	0.72730	0.50000	0.57863
4	0.27270	0.50000	0.42137

Set of atoms in the unit cell related by symmetry with the atom Cl2_3:

Atom	x	y	z
1	0.77270	0.00000	0.08803
2	0.22730	0.00000	0.91197
(1/2,1/2,0)' + set click here to show and hide
3	0.27270	0.50000	0.08803
4	0.72730	0.50000	0.91197

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1_1	Ru	0.00000	0.16653	0.16667	8	m_x,m_y,m_z	0.43	0.0	0.3	0.44
Ru1_2	Ru	0.00000	0.16653	0.50000	4	0,m_y,0	0.0	0.0	0.0	0.00

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