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

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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	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
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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

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1	Ru	0.00000	0.33333	0.16556	8	m_x,m_y,m_z	-1.3(1)	0.0	-0.6(2)	1.43

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.00000	0.00000	0.25000	4
Ba2	Ba	0.00000	0.33333	0.89090	8
La1	La	0.00000	0.00000	0.00000	4
O1_1	O	0.00000	0.48730	0.25000	4
O1_2	O	0.26905	0.75635	0.25000	8
O2_1	O	0.00000	0.17889	0.40471	8
O2_2	O	0.73166	0.91056	0.40471	8
O2_3	O	0.26833	0.91056	0.40471	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 Ru1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.33333	0.16556	m_x,m_y,m_z	-1.30000	0.00000	-0.60000
2	0.50000	0.83333	0.33444	-m_x,m_y,-m_z	1.30000	0.00000	0.60000
3	0.00000	0.66667	0.83444	m_x,m_y,m_z	-1.30000	0.00000	-0.60000
4	0.50000	0.16667	0.66556	-m_x,m_y,-m_z	1.30000	0.00000	0.60000
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5	0.50000	0.83333	0.16556	-m_x,-m_y,-m_z	1.30000	0.00000	0.60000
6	0.00000	0.33333	0.33444	m_x,-m_y,m_z	-1.30000	0.00000	-0.60000
7	0.50000	0.16667	0.83444	-m_x,-m_y,-m_z	1.30000	0.00000	0.60000
8	0.00000	0.66667	0.66556	m_x,-m_y,m_z	-1.30000	0.00000	-0.60000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.00000	0.00000	0.75000
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3	0.50000	0.50000	0.25000
4	0.50000	0.50000	0.75000

Set of atoms in the unit cell related by symmetry with the atom Ba2:

Atom	x	y	z
1	0.00000	0.33333	0.89090
2	0.50000	0.83333	0.60910
3	0.00000	0.66667	0.10910
4	0.50000	0.16667	0.39090
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5	0.50000	0.83333	0.89090
6	0.00000	0.33333	0.60910
7	0.50000	0.16667	0.10910
8	0.00000	0.66667	0.39090

Set of atoms in the unit cell related by symmetry with the atom La1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.50000	0.50000	0.50000
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3	0.50000	0.50000	0.00000
4	0.00000	0.00000	0.50000

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

Atom	x	y	z
1	0.00000	0.48730	0.25000
2	0.00000	0.51270	0.75000
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3	0.50000	0.98730	0.25000
4	0.50000	0.01270	0.75000

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

Atom	x	y	z
1	0.26905	0.75635	0.25000
2	0.23095	0.25635	0.25000
3	0.73095	0.24365	0.75000
4	0.76905	0.74365	0.75000
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5	0.76905	0.25635	0.25000
6	0.73095	0.75635	0.25000
7	0.23095	0.74365	0.75000
8	0.26905	0.24365	0.75000

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.00000	0.17889	0.40471
2	0.50000	0.67889	0.09529
3	0.00000	0.82111	0.59529
4	0.50000	0.32111	0.90471
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5	0.50000	0.67889	0.40471
6	0.00000	0.17889	0.09529
7	0.50000	0.32111	0.59529
8	0.00000	0.82111	0.90471

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.73166	0.91056	0.40471
2	0.76834	0.41056	0.09529
3	0.26834	0.08944	0.59529
4	0.23166	0.58944	0.90471
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5	0.23166	0.41056	0.40471
6	0.26834	0.91056	0.09529
7	0.76834	0.58944	0.59529
8	0.73166	0.08944	0.90471

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.26833	0.91056	0.40471
2	0.23167	0.41056	0.09529
3	0.73167	0.08944	0.59529
4	0.76833	0.58944	0.90471
(1/2,1/2,0)' + set click here to show and hide
5	0.76833	0.41056	0.40471
6	0.73167	0.91056	0.09529
7	0.23167	0.58944	0.59529
8	0.26833	0.08944	0.90471

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1	Ru	0.00000	0.33333	0.16556	8	m_x,m_y,m_z	-1.3(1)	0.0	-0.6(2)	1.43

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