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+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
4	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
7	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
8	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
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9	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
10	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
11	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
12	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
13	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
14	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
15	x+1/2,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 }
16	-x,y,z,-1	{ m'₁₀₀ \| 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	2₀₁₀
3	-x,-y,z,+1	2₀₀₁
4	x,-y,-z,+1	2₁₀₀
5	-x,-y,-z,+1	-1
6	x,-y,z,+1	m₀₁₀
7	x,y,-z,+1	m₀₀₁
8	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,y,-z,-1	2'₀₁₀
11	-x,-y,z,-1	2'₀₀₁
12	x,-y,-z,-1	2'₁₀₀
13	-x,-y,-z,-1	-1'
14	x,-y,z,-1	m'₀₁₀
15	x,y,-z,-1	m'₀₀₁
16	-x,y,z,-1	m'₁₀₀

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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	0.50000	0.16667	0.15510	8	0,m_y,m_z	0.0	1.16(9)	0.0	1.16
Co1	Co	0.00000	0.00000	0.00000	4	0,m_y,m_z	0.0	2.84(8)	0.0	2.84

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.00000	0.00000	0.75000	4
Ba2	Ba	0.50000	0.16667	0.91030	8
O1_1	O	0.76980	0.25660	0.75000	8
O1_2	O	0.00000	0.48680	0.75000	4
O2_1	O	0.24605	0.41535	0.91640	16
O2_2	O	0.00000	0.16930	0.91640	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	0.50000	0.16667	0.15510	0,m_y,m_z	0.00000	1.16000	0.00000
2	0.00000	0.66667	0.34490	0,m_y,-m_z	0.00000	1.16000	0.00000
3	0.50000	0.83333	0.65510	0,-m_y,m_z	0.00000	-1.16000	0.00000
4	0.00000	0.33333	0.84490	0,-m_y,-m_z	0.00000	-1.16000	0.00000
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5	0.00000	0.66667	0.15510	0,-m_y,-m_z	0.00000	-1.16000	0.00000
6	0.50000	0.16667	0.34490	0,-m_y,m_z	0.00000	-1.16000	0.00000
7	0.00000	0.33333	0.65510	0,m_y,-m_z	0.00000	1.16000	0.00000
8	0.50000	0.83333	0.84490	0,m_y,m_z	0.00000	1.16000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,m_z	0.00000	2.84000	0.00000
2	0.50000	0.50000	0.50000	0,m_y,-m_z	0.00000	2.84000	0.00000
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3	0.50000	0.50000	0.00000	0,-m_y,-m_z	0.00000	-2.84000	0.00000
4	0.00000	0.00000	0.50000	0,-m_y,m_z	0.00000	-2.84000	0.00000

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	0.75000
2	0.00000	0.00000	0.25000
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3	0.50000	0.50000	0.75000
4	0.50000	0.50000	0.25000

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

Atom	x	y	z
1	0.50000	0.16667	0.91030
2	0.00000	0.66667	0.58970
3	0.50000	0.83333	0.41030
4	0.00000	0.33333	0.08970
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5	0.00000	0.66667	0.91030
6	0.50000	0.16667	0.58970
7	0.00000	0.33333	0.41030
8	0.50000	0.83333	0.08970

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

Atom	x	y	z
1	0.76980	0.25660	0.75000
2	0.73020	0.75660	0.75000
3	0.23020	0.74340	0.25000
4	0.26980	0.24340	0.25000
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5	0.26980	0.75660	0.75000
6	0.23020	0.25660	0.75000
7	0.73020	0.24340	0.25000
8	0.76980	0.74340	0.25000

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

Atom	x	y	z
1	0.00000	0.48680	0.75000
2	0.00000	0.51320	0.25000
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3	0.50000	0.98680	0.75000
4	0.50000	0.01320	0.25000

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

Atom	x	y	z
1	0.24605	0.41535	0.91640
2	0.25395	0.91535	0.58360
3	0.75395	0.58465	0.41640
4	0.74605	0.08465	0.08360
5	0.75395	0.58465	0.08360
6	0.74605	0.08465	0.41640
7	0.24605	0.41535	0.58360
8	0.25395	0.91535	0.91640
(1/2,1/2,0)' + set click here to show and hide
9	0.74605	0.91535	0.91640
10	0.75395	0.41535	0.58360
11	0.25395	0.08465	0.41640
12	0.24605	0.58465	0.08360
13	0.25395	0.08465	0.08360
14	0.24605	0.58465	0.41640
15	0.74605	0.91535	0.58360
16	0.75395	0.41535	0.91640

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

Atom	x	y	z
1	0.00000	0.16930	0.91640
2	0.50000	0.66930	0.58360
3	0.00000	0.83070	0.41640
4	0.50000	0.33070	0.08360
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5	0.50000	0.66930	0.91640
6	0.00000	0.16930	0.58360
7	0.50000	0.33070	0.41640
8	0.00000	0.83070	0.08360

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1	Ru	0.50000	0.16667	0.15510	8	0,m_y,m_z	0.0	1.16(9)	0.0	1.16
Co1	Co	0.00000	0.00000	0.00000	4	0,m_y,m_z	0.0	2.84(8)	0.0	2.84

label	dim. small irrep	dim. full irrep	action	number of modes
mM2+	1	3	primary	4

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