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+1/2,2x-y,-z+1/2,+1	{ 2₁₁₀ \| 1/2 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-x+1/2,-2x+y,z+1/2,+1	{ m₁₁₀ \| 1/2 0 1/2 }
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5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	x,2x-y,-z+1/2,-1	{ 2'₁₁₀ \| 0 0 1/2 }
7	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
8	-x,-2x+y,z+1/2,-1	{ m'₁₁₀ \| 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,2x-y,-z,+1	2₁₁₀
3	-x,-y,-z,+1	-1
4	-x,-2x+y,z,+1	m₁₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x,2x-y,-z,-1	2'₁₁₀
7	-x,-y,-z,-1	-1'
8	-x,-2x+y,z,-1	m'₁₁₀

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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	0.16667	0.66667	0.16460	8	m_x,m_y,m_z	0.0	-1.23(9)	-0.5(1)	1.33

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.00000	0.00000	0.25000	4
Ba2	Ba	0.16667	0.66667	0.89100	8
La1	La	0.00000	0.00000	0.00000	4
O1_1	O	0.24330	0.97320	0.25000	8
O1_2	O	0.51340	0.51340	0.25000	4
O2_1	O	0.08935	0.35740	0.40457	8
O2_2	O	0.82130	0.82130	0.40457	8
O2_3	O	0.08935	0.82130	0.40457	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	0.16667	0.66667	0.16460	m_x,m_y,m_z	0.00000	-1.23000	-0.50000
2	0.66667	0.66667	0.33540	m_x,m_x-m_y,-m_z	0.00000	1.23000	0.50000
3	0.83333	0.33333	0.83540	m_x,m_y,m_z	0.00000	-1.23000	-0.50000
4	0.33333	0.33333	0.66460	m_x,m_x-m_y,-m_z	0.00000	1.23000	0.50000
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5	0.66667	0.66667	0.16460	-m_x,-m_y,-m_z	0.00000	1.23000	0.50000
6	0.16667	0.66667	0.33540	-m_x,-m_x+m_y,m_z	0.00000	-1.23000	-0.50000
7	0.33333	0.33333	0.83540	-m_x,-m_y,-m_z	0.00000	1.23000	0.50000
8	0.83333	0.33333	0.66460	-m_x,-m_x+m_y,m_z	0.00000	-1.23000	-0.50000

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	0.00000	0.25000
4	0.50000	0.00000	0.75000

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

Atom	x	y	z
1	0.16667	0.66667	0.89100
2	0.66667	0.66667	0.60900
3	0.83333	0.33333	0.10900
4	0.33333	0.33333	0.39100
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5	0.66667	0.66667	0.89100
6	0.16667	0.66667	0.60900
7	0.33333	0.33333	0.10900
8	0.83333	0.33333	0.39100

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	0.00000	0.50000
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3	0.50000	0.00000	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	0.24330	0.97320	0.25000
2	0.74330	0.51340	0.25000
3	0.75670	0.02680	0.75000
4	0.25670	0.48660	0.75000
(1/2,0,0)' + set click here to show and hide
5	0.74330	0.97320	0.25000
6	0.24330	0.51340	0.25000
7	0.25670	0.02680	0.75000
8	0.75670	0.48660	0.75000

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

Atom	x	y	z
1	0.51340	0.51340	0.25000
2	0.48660	0.48660	0.75000
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3	0.01340	0.51340	0.25000
4	0.98660	0.48660	0.75000

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

Atom	x	y	z
1	0.08935	0.35740	0.40457
2	0.58935	0.82130	0.09543
3	0.91065	0.64260	0.59543
4	0.41065	0.17870	0.90457
(1/2,0,0)' + set click here to show and hide
5	0.58935	0.35740	0.40457
6	0.08935	0.82130	0.09543
7	0.41065	0.64260	0.59543
8	0.91065	0.17870	0.90457

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

Atom	x	y	z
1	0.82130	0.82130	0.40457
2	0.32130	0.82130	0.09543
3	0.17870	0.17870	0.59543
4	0.67870	0.17870	0.90457
(1/2,0,0)' + set click here to show and hide
5	0.32130	0.82130	0.40457
6	0.82130	0.82130	0.09543
7	0.67870	0.17870	0.59543
8	0.17870	0.17870	0.90457

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

Atom	x	y	z
1	0.08935	0.82130	0.40457
2	0.58935	0.35740	0.09543
3	0.91065	0.17870	0.59543
4	0.41065	0.64260	0.90457
(1/2,0,0)' + set click here to show and hide
5	0.58935	0.82130	0.40457
6	0.08935	0.35740	0.09543
7	0.41065	0.17870	0.59543
8	0.91065	0.64260	0.90457

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1	Ru	0.16667	0.66667	0.16460	8	m_x,m_y,m_z	0.0	-1.23(9)	-0.5(1)	1.33

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