MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
5	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
6	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
7	-x,y,z,-1	{ m'₁₀₀ \| 0 }
8	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
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9	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
10	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
11	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
12	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
13	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
14	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
15	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
16	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 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_y	M_z	\|M\|
Cu1	Cu	0	0.5175	0.226		8	0,m_y,m_z	0.0	-1.3(1)	1.30
Co1	Co	0	0.5175	0.226	0.1	8	0,m_y,m_z	0.0	-1.3(1)	1.30
Co2	Co	0	0	0	0.2	4	0,m_y,m_z	1.3(1)	-2.5(4)	2.82
Cu2	Cu	0	0	0	0.2	4	0,m_y,m_z	1.3(1)	-2.5(4)	2.82
Fe2	Fe	0	0	0	0.6	4	0,m_y,m_z	1.3(1)	-2.5(4)	2.82
Fe3	Fe	0.5	0.7615	0.1149	0.7	8	0,m_y,m_z	-1.3(1)	2.5(4)	2.82
Co3	Co	0.5	0.7615	0.1149	0.3	8	0,m_y,m_z	-1.3(1)	2.5(4)	2.82

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
O1	O	0.5	0.665	0.75	1	4
O2	O	0	0.0986	0.1409	1	8
O3	O	0.5	-0.1470	0.0479	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 Cu1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.51750	0.22600	0,m_y,m_z	0.00000	0.00000	-1.30000
2	0.00000	0.48250	0.72600	0,-m_y,m_z	0.00000	0.00000	-1.30000
3	0.00000	0.48250	0.77400	0,m_y,m_z	0.00000	0.00000	-1.30000
4	0.00000	0.51750	0.27400	0,-m_y,m_z	0.00000	0.00000	-1.30000
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5	0.50000	0.01750	0.22600	0,m_y,m_z	0.00000	0.00000	-1.30000
6	0.50000	0.98250	0.72600	0,-m_y,m_z	0.00000	0.00000	-1.30000
7	0.50000	0.98250	0.77400	0,m_y,m_z	0.00000	0.00000	-1.30000
8	0.50000	0.01750	0.27400	0,-m_y,m_z	0.00000	0.00000	-1.30000

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	0.51750	0.22600	0,m_y,m_z	0.00000	0.00000	-1.30000
2	0.00000	0.48250	0.72600	0,-m_y,m_z	0.00000	0.00000	-1.30000
3	0.00000	0.48250	0.77400	0,m_y,m_z	0.00000	0.00000	-1.30000
4	0.00000	0.51750	0.27400	0,-m_y,m_z	0.00000	0.00000	-1.30000
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5	0.50000	0.01750	0.22600	0,m_y,m_z	0.00000	0.00000	-1.30000
6	0.50000	0.98250	0.72600	0,-m_y,m_z	0.00000	0.00000	-1.30000
7	0.50000	0.98250	0.77400	0,m_y,m_z	0.00000	0.00000	-1.30000
8	0.50000	0.01750	0.27400	0,-m_y,m_z	0.00000	0.00000	-1.30000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2:

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	1.30000	-2.50000
2	0.00000	0.00000	0.50000	0,-m_y,m_z	0.00000	-1.30000	-2.50000
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3	0.50000	0.50000	0.00000	0,m_y,m_z	0.00000	1.30000	-2.50000
4	0.50000	0.50000	0.50000	0,-m_y,m_z	0.00000	-1.30000	-2.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu2:

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	1.30000	-2.50000
2	0.00000	0.00000	0.50000	0,-m_y,m_z	0.00000	-1.30000	-2.50000
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3	0.50000	0.50000	0.00000	0,m_y,m_z	0.00000	1.30000	-2.50000
4	0.50000	0.50000	0.50000	0,-m_y,m_z	0.00000	-1.30000	-2.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

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	1.30000	-2.50000
2	0.00000	0.00000	0.50000	0,-m_y,m_z	0.00000	-1.30000	-2.50000
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3	0.50000	0.50000	0.00000	0,m_y,m_z	0.00000	1.30000	-2.50000
4	0.50000	0.50000	0.50000	0,-m_y,m_z	0.00000	-1.30000	-2.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.76150	0.11490	0,m_y,m_z	0.00000	-1.30000	2.50000
2	0.50000	0.23850	0.61490	0,-m_y,m_z	0.00000	1.30000	2.50000
3	0.50000	0.23850	0.88510	0,m_y,m_z	0.00000	-1.30000	2.50000
4	0.50000	0.76150	0.38510	0,-m_y,m_z	0.00000	1.30000	2.50000
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5	0.00000	0.26150	0.11490	0,m_y,m_z	0.00000	-1.30000	2.50000
6	0.00000	0.73850	0.61490	0,-m_y,m_z	0.00000	1.30000	2.50000
7	0.00000	0.73850	0.88510	0,m_y,m_z	0.00000	-1.30000	2.50000
8	0.00000	0.26150	0.38510	0,-m_y,m_z	0.00000	1.30000	2.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.76150	0.11490	0,m_y,m_z	0.00000	-1.30000	2.50000
2	0.50000	0.23850	0.61490	0,-m_y,m_z	0.00000	1.30000	2.50000
3	0.50000	0.23850	0.88510	0,m_y,m_z	0.00000	-1.30000	2.50000
4	0.50000	0.76150	0.38510	0,-m_y,m_z	0.00000	1.30000	2.50000
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5	0.00000	0.26150	0.11490	0,m_y,m_z	0.00000	-1.30000	2.50000
6	0.00000	0.73850	0.61490	0,-m_y,m_z	0.00000	1.30000	2.50000
7	0.00000	0.73850	0.88510	0,m_y,m_z	0.00000	-1.30000	2.50000
8	0.00000	0.26150	0.38510	0,-m_y,m_z	0.00000	1.30000	2.50000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.50000	0.66500	0.75000
2	0.50000	0.33500	0.25000
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3	0.00000	0.16500	0.75000
4	0.00000	0.83500	0.25000

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

Atom	x	y	z
1	0.00000	0.09860	0.14090
2	0.00000	0.90140	0.64090
3	0.00000	0.90140	0.85910
4	0.00000	0.09860	0.35910
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5	0.50000	0.59860	0.14090
6	0.50000	0.40140	0.64090
7	0.50000	0.40140	0.85910
8	0.50000	0.59860	0.35910

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

Atom	x	y	z
1	0.50000	0.85300	0.04790
2	0.50000	0.14700	0.54790
3	0.50000	0.14700	0.95210
4	0.50000	0.85300	0.45210
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5	0.00000	0.35300	0.04790
6	0.00000	0.64700	0.54790
7	0.00000	0.64700	0.95210
8	0.00000	0.35300	0.45210

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_y	M_z	\|M\|
Cu1	Cu	0	0.5175	0.226		8	0,m_y,m_z	0.0	-1.3(1)	1.30
Co1	Co	0	0.5175	0.226	0.1	8	0,m_y,m_z	0.0	-1.3(1)	1.30
Co2	Co	0	0	0	0.2	4	0,m_y,m_z	1.3(1)	-2.5(4)	2.82
Cu2	Cu	0	0	0	0.2	4	0,m_y,m_z	1.3(1)	-2.5(4)	2.82
Fe2	Fe	0	0	0	0.6	4	0,m_y,m_z	1.3(1)	-2.5(4)	2.82
Fe3	Fe	0.5	0.7615	0.1149	0.7	8	0,m_y,m_z	-1.3(1)	2.5(4)	2.82
Co3	Co	0.5	0.7615	0.1149	0.3	8	0,m_y,m_z	-1.3(1)	2.5(4)	2.82

[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: