MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y+1/2,z,+1	{ 2₀₀₁ \| 0 1/2 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,y+1/2,-z,+1	{ m₀₀₁ \| 0 1/2 0 }
5	x,-y,-z+1/2,-1	{ 2'₁₀₀ \| 0 0 1/2 }
6	-x+1/2,y,-z,-1	{ 2'₀₁₀ \| 1/2 0 0 }
7	-x,y,z+1/2,-1	{ m'₁₀₀ \| 0 0 1/2 }
8	x+1/2,-y,z,-1	{ m'₀₁₀ \| 1/2 0 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,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 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,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 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	{ 2'₀₁₀ \| 0 1/2 1/2 }
15	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
16	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,-y,-z,+1	-1
4	x,y,-z,+1	m₀₀₁
5	x,-y,-z,-1	2'₁₀₀
6	-x,y,-z,-1	2'₀₁₀
7	-x,y,z,-1	m'₁₀₀
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1	Fe	0.25000	0.25000	0.25000	0.5	8	m_x,m_y,m_z	2.48	2.48
Mn1	Mn	0.25000	0.25000	0.25000	0.5	8	m_x,m_y,m_z	-1.	1.00
Fe2_1	Fe	0.97576	0.00000	0.25000	0.5	8	0,m_y,m_z	3.97	3.97
Fe2_2	Fe	0.25000	0.97576	0.00000	0.5	8	m_x,0,m_z	3.97	3.97
Fe2_3	Fe	0.00000	0.25000	0.97576	0.5	8	0,0,m_z	3.97	3.97
Mn2_1	Mn	0.97576	0.00000	0.25000	0.5	8	0,m_y,m_z	-3.01	3.01
Mn2_2	Mn	0.25000	0.97576	0.00000	0.5	8	m_x,0,m_z	-3.01	3.01
Mn2_3	Mn	0.00000	0.25000	0.97576	0.5	8	0,0,m_z	-3.01	3.01

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
O1_1	O	0.33510	0.11011	0.12500	1.	16
O1_2	O	0.12500	0.33510	0.11011	1.	16
O1_3	O	0.11011	0.12500	0.33510	1.	16

[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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.25000	m_x,m_y,m_z	0.00000	0.00000	2.48000
2	0.75000	0.25000	0.25000	-m_x,-m_y,m_z	0.00000	0.00000	2.48000
3	0.25000	0.75000	0.25000	-m_x,m_y,m_z	0.00000	0.00000	2.48000
4	0.25000	0.25000	0.75000	m_x,-m_y,m_z	0.00000	0.00000	2.48000
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5	0.75000	0.75000	0.75000	m_x,m_y,m_z	0.00000	0.00000	2.48000
6	0.25000	0.75000	0.75000	-m_x,-m_y,m_z	0.00000	0.00000	2.48000
7	0.75000	0.25000	0.75000	-m_x,m_y,m_z	0.00000	0.00000	2.48000
8	0.75000	0.75000	0.25000	m_x,-m_y,m_z	0.00000	0.00000	2.48000

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	0.25000	0.25000	0.25000	m_x,m_y,m_z	0.00000	0.00000	-1.00000
2	0.75000	0.25000	0.25000	-m_x,-m_y,m_z	0.00000	0.00000	-1.00000
3	0.25000	0.75000	0.25000	-m_x,m_y,m_z	0.00000	0.00000	-1.00000
4	0.25000	0.25000	0.75000	m_x,-m_y,m_z	0.00000	0.00000	-1.00000
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5	0.75000	0.75000	0.75000	m_x,m_y,m_z	0.00000	0.00000	-1.00000
6	0.25000	0.75000	0.75000	-m_x,-m_y,m_z	0.00000	0.00000	-1.00000
7	0.75000	0.25000	0.75000	-m_x,m_y,m_z	0.00000	0.00000	-1.00000
8	0.75000	0.75000	0.25000	m_x,-m_y,m_z	0.00000	0.00000	-1.00000

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	0.97576	0.00000	0.25000	0,m_y,m_z	0.00000	0.00000	3.97000
2	0.02424	0.50000	0.25000	0,-m_y,m_z	0.00000	0.00000	3.97000
3	0.02424	0.00000	0.75000	0,m_y,m_z	0.00000	0.00000	3.97000
4	0.97576	0.50000	0.75000	0,-m_y,m_z	0.00000	0.00000	3.97000
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5	0.47576	0.50000	0.75000	0,m_y,m_z	0.00000	0.00000	3.97000
6	0.52424	0.00000	0.75000	0,-m_y,m_z	0.00000	0.00000	3.97000
7	0.52424	0.50000	0.25000	0,m_y,m_z	0.00000	0.00000	3.97000
8	0.47576	0.00000	0.25000	0,-m_y,m_z	0.00000	0.00000	3.97000

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	0.97576	0.00000	m_x,0,m_z	0.00000	0.00000	3.97000
2	0.75000	0.52424	0.00000	-m_x,0,m_z	0.00000	0.00000	3.97000
3	0.75000	0.02424	0.00000	m_x,0,m_z	0.00000	0.00000	3.97000
4	0.25000	0.47576	0.00000	-m_x,0,m_z	0.00000	0.00000	3.97000
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5	0.75000	0.47576	0.50000	m_x,0,m_z	0.00000	0.00000	3.97000
6	0.25000	0.02424	0.50000	-m_x,0,m_z	0.00000	0.00000	3.97000
7	0.25000	0.52424	0.50000	m_x,0,m_z	0.00000	0.00000	3.97000
8	0.75000	0.97576	0.50000	-m_x,0,m_z	0.00000	0.00000	3.97000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.97576	0,0,m_z	0.00000	0.00000	3.97000
2	0.00000	0.75000	0.02424	0,0,m_z	0.00000	0.00000	3.97000
3	0.00000	0.75000	0.52424	0,0,m_z	0.00000	0.00000	3.97000
4	0.00000	0.25000	0.47576	0,0,m_z	0.00000	0.00000	3.97000
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5	0.50000	0.75000	0.47576	0,0,m_z	0.00000	0.00000	3.97000
6	0.50000	0.25000	0.52424	0,0,m_z	0.00000	0.00000	3.97000
7	0.50000	0.25000	0.02424	0,0,m_z	0.00000	0.00000	3.97000
8	0.50000	0.75000	0.97576	0,0,m_z	0.00000	0.00000	3.97000

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	0.97576	0.00000	0.25000	0,m_y,m_z	0.00000	0.00000	-3.01000
2	0.02424	0.50000	0.25000	0,-m_y,m_z	0.00000	0.00000	-3.01000
3	0.02424	0.00000	0.75000	0,m_y,m_z	0.00000	0.00000	-3.01000
4	0.97576	0.50000	0.75000	0,-m_y,m_z	0.00000	0.00000	-3.01000
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5	0.47576	0.50000	0.75000	0,m_y,m_z	0.00000	0.00000	-3.01000
6	0.52424	0.00000	0.75000	0,-m_y,m_z	0.00000	0.00000	-3.01000
7	0.52424	0.50000	0.25000	0,m_y,m_z	0.00000	0.00000	-3.01000
8	0.47576	0.00000	0.25000	0,-m_y,m_z	0.00000	0.00000	-3.01000

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	0.97576	0.00000	m_x,0,m_z	0.00000	0.00000	-3.01000
2	0.75000	0.52424	0.00000	-m_x,0,m_z	0.00000	0.00000	-3.01000
3	0.75000	0.02424	0.00000	m_x,0,m_z	0.00000	0.00000	-3.01000
4	0.25000	0.47576	0.00000	-m_x,0,m_z	0.00000	0.00000	-3.01000
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5	0.75000	0.47576	0.50000	m_x,0,m_z	0.00000	0.00000	-3.01000
6	0.25000	0.02424	0.50000	-m_x,0,m_z	0.00000	0.00000	-3.01000
7	0.25000	0.52424	0.50000	m_x,0,m_z	0.00000	0.00000	-3.01000
8	0.75000	0.97576	0.50000	-m_x,0,m_z	0.00000	0.00000	-3.01000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.97576	0,0,m_z	0.00000	0.00000	-3.01000
2	0.00000	0.75000	0.02424	0,0,m_z	0.00000	0.00000	-3.01000
3	0.00000	0.75000	0.52424	0,0,m_z	0.00000	0.00000	-3.01000
4	0.00000	0.25000	0.47576	0,0,m_z	0.00000	0.00000	-3.01000
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5	0.50000	0.75000	0.47576	0,0,m_z	0.00000	0.00000	-3.01000
6	0.50000	0.25000	0.52424	0,0,m_z	0.00000	0.00000	-3.01000
7	0.50000	0.25000	0.02424	0,0,m_z	0.00000	0.00000	-3.01000
8	0.50000	0.75000	0.97576	0,0,m_z	0.00000	0.00000	-3.01000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.33510	0.11011	0.12500
2	0.66490	0.38989	0.12500
3	0.66490	0.88989	0.87500
4	0.33510	0.61011	0.87500
5	0.33510	0.88989	0.37500
6	0.16490	0.11011	0.87500
7	0.66490	0.11011	0.62500
8	0.83510	0.88989	0.12500
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9	0.83510	0.61011	0.62500
10	0.16490	0.88989	0.62500
11	0.16490	0.38989	0.37500
12	0.83510	0.11011	0.37500
13	0.83510	0.38989	0.87500
14	0.66490	0.61011	0.37500
15	0.16490	0.61011	0.12500
16	0.33510	0.38989	0.62500

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

Atom	x	y	z
1	0.12500	0.33510	0.11011
2	0.87500	0.16490	0.11011
3	0.87500	0.66490	0.88989
4	0.12500	0.83510	0.88989
5	0.12500	0.66490	0.38989
6	0.37500	0.33510	0.88989
7	0.87500	0.33510	0.61011
8	0.62500	0.66490	0.11011
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9	0.62500	0.83510	0.61011
10	0.37500	0.66490	0.61011
11	0.37500	0.16490	0.38989
12	0.62500	0.33510	0.38989
13	0.62500	0.16490	0.88989
14	0.87500	0.83510	0.38989
15	0.37500	0.83510	0.11011
16	0.12500	0.16490	0.61011

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.11011	0.12500	0.33510
2	0.88989	0.37500	0.33510
3	0.88989	0.87500	0.66490
4	0.11011	0.62500	0.66490
5	0.11011	0.87500	0.16490
6	0.38989	0.12500	0.66490
7	0.88989	0.12500	0.83510
8	0.61011	0.87500	0.33510
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9	0.61011	0.62500	0.83510
10	0.38989	0.87500	0.83510
11	0.38989	0.37500	0.16490
12	0.61011	0.12500	0.16490
13	0.61011	0.37500	0.66490
14	0.88989	0.62500	0.16490
15	0.38989	0.62500	0.33510
16	0.11011	0.37500	0.83510

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1	Fe	0.25000	0.25000	0.25000	0.5	8	m_x,m_y,m_z	2.48	2.48
Mn1	Mn	0.25000	0.25000	0.25000	0.5	8	m_x,m_y,m_z	-1.	1.00
Fe2_1	Fe	0.97576	0.00000	0.25000	0.5	8	0,m_y,m_z	3.97	3.97
Fe2_2	Fe	0.25000	0.97576	0.00000	0.5	8	m_x,0,m_z	3.97	3.97
Fe2_3	Fe	0.00000	0.25000	0.97576	0.5	8	0,0,m_z	3.97	3.97
Mn2_1	Mn	0.97576	0.00000	0.25000	0.5	8	0,m_y,m_z	-3.01	3.01
Mn2_2	Mn	0.25000	0.97576	0.00000	0.5	8	m_x,0,m_z	-3.01	3.01
Mn2_3	Mn	0.00000	0.25000	0.97576	0.5	8	0,0,m_z	-3.01	3.01

[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: