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

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.50000	0.12850	1.	8	0,0,m_z	0.0	0.0	1.58(8)	1.58
Mn2	Mn	0.40600	0.35170	0.25000	1.	8	m_x,m_y,0	-1.55(7)	0.98(11)	0.0	1.83

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
La1	La	0.14600	0.17220	0.00000	0.8	8
Bi1	Bi	0.14600	0.17220	0.00000	0.2	8
O1	O	0.00000	0.00000	0.13900	1.	8
O2	O	0.15270	0.44920	0.00000	1.	8
O3	O	0.15020	0.43480	0.25000	1.	8
O4	O	0.40430	0.20540	0.12750	1.	16

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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.12850	0,0,m_z	0.00000	0.00000	1.58000
2	0.50000	0.00000	0.87150	0,0,-m_z	0.00000	0.00000	-1.58000
3	0.00000	0.50000	0.87150	0,0,m_z	0.00000	0.00000	1.58000
4	0.50000	0.00000	0.12850	0,0,-m_z	0.00000	0.00000	-1.58000
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5	0.00000	0.50000	0.62850	0,0,-m_z	0.00000	0.00000	-1.58000
6	0.50000	0.00000	0.37150	0,0,m_z	0.00000	0.00000	1.58000
7	0.00000	0.50000	0.37150	0,0,-m_z	0.00000	0.00000	-1.58000
8	0.50000	0.00000	0.62850	0,0,m_z	0.00000	0.00000	1.58000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.40600	0.35170	0.25000	m_x,m_y,0	-1.55000	0.98000	0.00000
2	0.90600	0.14830	0.75000	m_x,-m_y,0	-1.55000	-0.98000	0.00000
3	0.09400	0.85170	0.75000	-m_x,m_y,0	1.55000	0.98000	0.00000
4	0.59400	0.64830	0.25000	-m_x,-m_y,0	1.55000	-0.98000	0.00000
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5	0.40600	0.35170	0.75000	-m_x,-m_y,0	1.55000	-0.98000	0.00000
6	0.90600	0.14830	0.25000	-m_x,m_y,0	1.55000	0.98000	0.00000
7	0.09400	0.85170	0.25000	m_x,-m_y,0	-1.55000	-0.98000	0.00000
8	0.59400	0.64830	0.75000	m_x,m_y,0	-1.55000	0.98000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.14600	0.17220	0.00000
2	0.64600	0.32780	0.00000
3	0.35400	0.67220	0.00000
4	0.85400	0.82780	0.00000
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5	0.14600	0.17220	0.50000
6	0.64600	0.32780	0.50000
7	0.35400	0.67220	0.50000
8	0.85400	0.82780	0.50000

Set of atoms in the unit cell related by symmetry with the atom Bi1:

Atom	x	y	z
1	0.14600	0.17220	0.00000
2	0.64600	0.32780	0.00000
3	0.35400	0.67220	0.00000
4	0.85400	0.82780	0.00000
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5	0.14600	0.17220	0.50000
6	0.64600	0.32780	0.50000
7	0.35400	0.67220	0.50000
8	0.85400	0.82780	0.50000

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

Atom	x	y	z
1	0.00000	0.00000	0.13900
2	0.50000	0.50000	0.86100
3	0.00000	0.00000	0.86100
4	0.50000	0.50000	0.13900
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5	0.00000	0.00000	0.63900
6	0.50000	0.50000	0.36100
7	0.00000	0.00000	0.36100
8	0.50000	0.50000	0.63900

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

Atom	x	y	z
1	0.15270	0.44920	0.00000
2	0.65270	0.05080	0.00000
3	0.34730	0.94920	0.00000
4	0.84730	0.55080	0.00000
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5	0.15270	0.44920	0.50000
6	0.65270	0.05080	0.50000
7	0.34730	0.94920	0.50000
8	0.84730	0.55080	0.50000

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

Atom	x	y	z
1	0.15020	0.43480	0.25000
2	0.65020	0.06520	0.75000
3	0.34980	0.93480	0.75000
4	0.84980	0.56520	0.25000
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5	0.15020	0.43480	0.75000
6	0.65020	0.06520	0.25000
7	0.34980	0.93480	0.25000
8	0.84980	0.56520	0.75000

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

Atom	x	y	z
1	0.40430	0.20540	0.12750
2	0.90430	0.29460	0.87250
3	0.09570	0.70540	0.87250
4	0.59570	0.79460	0.12750
5	0.59570	0.79460	0.87250
6	0.09570	0.70540	0.12750
7	0.90430	0.29460	0.12750
8	0.40430	0.20540	0.87250
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9	0.40430	0.20540	0.62750
10	0.90430	0.29460	0.37250
11	0.09570	0.70540	0.37250
12	0.59570	0.79460	0.62750
13	0.59570	0.79460	0.37250
14	0.09570	0.70540	0.62750
15	0.90430	0.29460	0.62750
16	0.40430	0.20540	0.37250

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.50000	0.12850	8	0,0,m_z	0.0	0.0	1.58(8)	1.58
Mn2	Mn	0.40600	0.35170	0.25000	8	m_x,m_y,0	-1.55(7)	0.98(11)	0.0	1.83

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