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,-z+1/2,+1	{ 2₀₁₀ \| 1/2 0 1/2 }
3	-x,y,z,+1	{ m₁₀₀ \| 0 }
4	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
5	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
6	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
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9	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
10	-x,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
11	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
12	x,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 0 1/2 1/2 }
13	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
14	-x,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 0 1/2 1/2 }
15	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
16	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }

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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	0.00000	0.00000	4	0,0,0	0.0	0.0	0.0	0.00
Ru2	Ru	0.00000	0.87530	0.14870	8	m_x,0,0	0.89(1)	0.0	0.0	0.89

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.00000	0.23960	0.11410	8
Ba2	Ba	0.00000	0.53580	0.13910	8
O1	O	0.25000	0.37750	0.25000	8
O2	O	0.00000	0.03410	0.15310	8
O3	O	0.26930	0.39020	0.03340	16
O4	O	0.00000	0.73080	0.14920	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	0.00000	0.00000	0,0,0	0.00000	0.00000	0.00000
2	0.50000	0.00000	0.50000	0,0,0	0.00000	0.00000	0.00000
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3	0.50000	0.50000	0.00000	0,0,0	0.00000	0.00000	0.00000
4	0.00000	0.50000	0.50000	0,0,0	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ru2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.87530	0.14870	m_x,0,0	0.89000	0.00000	0.00000
2	0.50000	0.87530	0.35130	-m_x,0,0	-0.89000	0.00000	0.00000
3	0.00000	0.12470	0.85130	-m_x,0,0	-0.89000	0.00000	0.00000
4	0.50000	0.12470	0.64870	m_x,0,0	0.89000	0.00000	0.00000
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5	0.50000	0.37530	0.14870	m_x,0,0	0.89000	0.00000	0.00000
6	0.00000	0.37530	0.35130	-m_x,0,0	-0.89000	0.00000	0.00000
7	0.50000	0.62470	0.85130	-m_x,0,0	-0.89000	0.00000	0.00000
8	0.00000	0.62470	0.64870	m_x,0,0	0.89000	0.00000	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	0.23960	0.11410
2	0.50000	0.23960	0.38590
3	0.00000	0.76040	0.88590
4	0.50000	0.76040	0.61410
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5	0.50000	0.73960	0.11410
6	0.00000	0.73960	0.38590
7	0.50000	0.26040	0.88590
8	0.00000	0.26040	0.61410

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

Atom	x	y	z
1	0.00000	0.53580	0.13910
2	0.50000	0.53580	0.36090
3	0.00000	0.46420	0.86090
4	0.50000	0.46420	0.63910
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5	0.50000	0.03580	0.13910
6	0.00000	0.03580	0.36090
7	0.50000	0.96420	0.86090
8	0.00000	0.96420	0.63910

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.25000	0.37750	0.25000
2	0.75000	0.37750	0.25000
3	0.25000	0.62250	0.75000
4	0.75000	0.62250	0.75000
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5	0.75000	0.87750	0.25000
6	0.25000	0.87750	0.25000
7	0.75000	0.12250	0.75000
8	0.25000	0.12250	0.75000

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.00000	0.03410	0.15310
2	0.50000	0.03410	0.34690
3	0.00000	0.96590	0.84690
4	0.50000	0.96590	0.65310
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5	0.50000	0.53410	0.15310
6	0.00000	0.53410	0.34690
7	0.50000	0.46590	0.84690
8	0.00000	0.46590	0.65310

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.26930	0.39020	0.03340
2	0.23070	0.39020	0.46660
3	0.73070	0.39020	0.03340
4	0.76930	0.39020	0.46660
5	0.26930	0.60980	0.96660
6	0.23070	0.60980	0.53340
7	0.73070	0.60980	0.96660
8	0.76930	0.60980	0.53340
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9	0.76930	0.89020	0.03340
10	0.73070	0.89020	0.46660
11	0.23070	0.89020	0.03340
12	0.26930	0.89020	0.46660
13	0.76930	0.10980	0.96660
14	0.73070	0.10980	0.53340
15	0.23070	0.10980	0.96660
16	0.26930	0.10980	0.53340

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.00000	0.73080	0.14920
2	0.50000	0.73080	0.35080
3	0.00000	0.26920	0.85080
4	0.50000	0.26920	0.64920
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5	0.50000	0.23080	0.14920
6	0.00000	0.23080	0.35080
7	0.50000	0.76920	0.85080
8	0.00000	0.76920	0.64920

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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	0.00000	0.00000	4	0,0,0	0.0	0.0	0.0	0.00
Ru2	Ru	0.00000	0.87530	0.14870	8	m_x,0,0	0.89(1)	0.0	0.0	0.89

label	dim. small irrep	dim. full irrep	action	number of modes
mGM4-	1	1	primary	1

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