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

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,-y,-z,+1	-1
4	-x,y,z,+1	m₁₀₀
5	-x,y,-z,-1	2'₀₁₀
6	-x,-y,z,-1	2'₀₀₁
7	x,-y,z,-1	m'₀₁₀
8	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Mn1	Mn	0.00000	0.75000	0.12500	0.905	4	m_x,0,0	4.65(5)	0.0	4.65
Fe1	Fe	0.00000	0.75000	0.12500	0.095	4	m_x,0,0	4.65(5)	0.0	4.65
Fe2_1	Fe	0.00000	0.00000	0.50000	0.452	4	m_x,0,0	-2.89(6)	0.0	2.89
Fe2_2	Fe	0.25000	0.75000	0.75000	0.452	4	m_x,0,m_z	-2.76(3)	-1.31	3.06
Mn2_1	Mn	0.00000	0.00000	0.50000	0.548	4	m_x,0,0	-2.89(6)	0.0	2.89
Mn2_2	Mn	0.25000	0.75000	0.75000	0.548	4	m_x,0,m_z	-2.76(3)	-1.31	3.06

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
O1_1	O	0.00000	0.474(4)	0.261(5)	1.	8
O1_2	O	0.775(8)	0.75	0.511(6)	1.	8

[Show all atoms in unit cell and their moment relations]

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	0.75000	0.12500	m_x,0,0	4.65000	0.00000	0.00000
2	0.00000	0.25000	0.87500	m_x,0,0	4.65000	0.00000	0.00000
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3	0.50000	0.25000	0.62500	m_x,0,0	4.65000	0.00000	0.00000
4	0.50000	0.75000	0.37500	m_x,0,0	4.65000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.75000	0.12500	m_x,0,0	4.65000	0.00000	0.00000
2	0.00000	0.25000	0.87500	m_x,0,0	4.65000	0.00000	0.00000
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3	0.50000	0.25000	0.62500	m_x,0,0	4.65000	0.00000	0.00000
4	0.50000	0.75000	0.37500	m_x,0,0	4.65000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	m_x,0,0	-2.89000	0.00000	0.00000
2	0.00000	0.50000	0.50000	m_x,0,0	-2.89000	0.00000	0.00000
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3	0.50000	0.50000	0.00000	m_x,0,0	-2.89000	0.00000	0.00000
4	0.50000	0.00000	0.00000	m_x,0,0	-2.89000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.75000	0.75000	m_x,0,m_z	-2.76000	0.00000	-1.31000
2	0.25000	0.25000	0.25000	m_x,0,-m_z	-2.76000	0.00000	1.31000
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3	0.75000	0.25000	0.25000	m_x,0,m_z	-2.76000	0.00000	-1.31000
4	0.75000	0.75000	0.75000	m_x,0,-m_z	-2.76000	0.00000	1.31000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	m_x,0,0	-2.89000	0.00000	0.00000
2	0.00000	0.50000	0.50000	m_x,0,0	-2.89000	0.00000	0.00000
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3	0.50000	0.50000	0.00000	m_x,0,0	-2.89000	0.00000	0.00000
4	0.50000	0.00000	0.00000	m_x,0,0	-2.89000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.75000	0.75000	m_x,0,m_z	-2.76000	0.00000	-1.31000
2	0.25000	0.25000	0.25000	m_x,0,-m_z	-2.76000	0.00000	1.31000
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3	0.75000	0.25000	0.25000	m_x,0,m_z	-2.76000	0.00000	-1.31000
4	0.75000	0.75000	0.75000	m_x,0,-m_z	-2.76000	0.00000	1.31000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.47400	0.26100
2	0.00000	0.52600	0.73900
3	0.00000	0.97400	0.73900
4	0.00000	0.02600	0.26100
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5	0.50000	0.97400	0.76100
6	0.50000	0.02600	0.23900
7	0.50000	0.47400	0.23900
8	0.50000	0.52600	0.76100

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

Atom	x	y	z
1	0.77500	0.75000	0.51100
2	0.77500	0.25000	0.48900
3	0.22500	0.25000	0.48900
4	0.22500	0.75000	0.51100
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5	0.27500	0.25000	0.01100
6	0.27500	0.75000	0.98900
7	0.72500	0.75000	0.98900
8	0.72500	0.25000	0.01100

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Mn1	Mn	0.00000	0.75000	0.12500	0.905	4	m_x,0,0	4.65(5)	0.0	4.65
Fe1	Fe	0.00000	0.75000	0.12500	0.095	4	m_x,0,0	4.65(5)	0.0	4.65
Fe2_1	Fe	0.00000	0.00000	0.50000	0.452	4	m_x,0,0	-2.89(6)	0.0	2.89
Fe2_2	Fe	0.25000	0.75000	0.75000	0.452	4	m_x,0,m_z	-2.76(3)	-1.31	3.06
Mn2_1	Mn	0.00000	0.00000	0.50000	0.548	4	m_x,0,0	-2.89(6)	0.0	2.89
Mn2_2	Mn	0.25000	0.75000	0.75000	0.548	4	m_x,0,m_z	-2.76(3)	-1.31	3.06

[Show all magnetic atoms in unit cell and their moment relations]

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given: