MAGNDATA - Collection of Magnetic Structures

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

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0	0.5175(9)	0.226(1)		8	m_x,m_y,m_z	0.9(1)	0.0	-1.1(2)	1.42
Co1	Co	0	0.5175(9)	0.226(1)	0.1	8	m_x,m_y,m_z	0.9(1)	0.0	-1.1(2)	1.42
Co2	Co	0	0	0	0.2	4	m_x,m_y,m_z	0.9(1)	1.1(2)	-2.1(1)	2.54
Cu2	Cu	0	0	0	0.2	4	m_x,m_y,m_z	0.9(1)	1.1(2)	-2.1(1)	2.54
Fe2	Fe	0	0	0	0.6	4	m_x,m_y,m_z	0.9(1)	1.1(2)	-2.1(1)	2.54
Fe3	Fe	0.5	0.7615(5)	0.1149(3)	0.7	8	m_x,m_y,m_z	-0.9(1)	-1.1(2)	2.1(1)	2.54
Co3	Co	0.5	0.7615(5)	0.1149(3)	0.3	8	m_x,m_y,m_z	-0.9(1)	-1.1(2)	2.1(1)	2.54

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
O1	O	0.5	0.665(1)	0.75	1	4
O2	O	0	0.0986(9)	0.1409(4)	1	8
O3	O	0.5	-0.1470(7)	0.0479(5)	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	m_x,m_y,m_z	0.90000	0.00000	-1.10000
2	0.00000	0.48250	0.77400	m_x,m_y,m_z	0.90000	0.00000	-1.10000
3	0.00000	0.51750	0.27400	m_x,-m_y,m_z	0.90000	0.00000	-1.10000
4	0.00000	0.48250	0.72600	m_x,-m_y,m_z	0.90000	0.00000	-1.10000
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5	0.50000	0.01750	0.22600	m_x,m_y,m_z	0.90000	0.00000	-1.10000
6	0.50000	0.98250	0.77400	m_x,m_y,m_z	0.90000	0.00000	-1.10000
7	0.50000	0.01750	0.27400	m_x,-m_y,m_z	0.90000	0.00000	-1.10000
8	0.50000	0.98250	0.72600	m_x,-m_y,m_z	0.90000	0.00000	-1.10000

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	m_x,m_y,m_z	0.90000	0.00000	-1.10000
2	0.00000	0.48250	0.77400	m_x,m_y,m_z	0.90000	0.00000	-1.10000
3	0.00000	0.51750	0.27400	m_x,-m_y,m_z	0.90000	0.00000	-1.10000
4	0.00000	0.48250	0.72600	m_x,-m_y,m_z	0.90000	0.00000	-1.10000
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5	0.50000	0.01750	0.22600	m_x,m_y,m_z	0.90000	0.00000	-1.10000
6	0.50000	0.98250	0.77400	m_x,m_y,m_z	0.90000	0.00000	-1.10000
7	0.50000	0.01750	0.27400	m_x,-m_y,m_z	0.90000	0.00000	-1.10000
8	0.50000	0.98250	0.72600	m_x,-m_y,m_z	0.90000	0.00000	-1.10000

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	m_x,m_y,m_z	0.90000	1.10000	-2.10000
2	0.00000	0.00000	0.50000	m_x,-m_y,m_z	0.90000	-1.10000	-2.10000
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3	0.50000	0.50000	0.00000	m_x,m_y,m_z	0.90000	1.10000	-2.10000
4	0.50000	0.50000	0.50000	m_x,-m_y,m_z	0.90000	-1.10000	-2.10000

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	m_x,m_y,m_z	0.90000	1.10000	-2.10000
2	0.00000	0.00000	0.50000	m_x,-m_y,m_z	0.90000	-1.10000	-2.10000
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3	0.50000	0.50000	0.00000	m_x,m_y,m_z	0.90000	1.10000	-2.10000
4	0.50000	0.50000	0.50000	m_x,-m_y,m_z	0.90000	-1.10000	-2.10000

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	m_x,m_y,m_z	0.90000	1.10000	-2.10000
2	0.00000	0.00000	0.50000	m_x,-m_y,m_z	0.90000	-1.10000	-2.10000
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3	0.50000	0.50000	0.00000	m_x,m_y,m_z	0.90000	1.10000	-2.10000
4	0.50000	0.50000	0.50000	m_x,-m_y,m_z	0.90000	-1.10000	-2.10000

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	m_x,m_y,m_z	-0.90000	-1.10000	2.10000
2	0.50000	0.23850	0.88510	m_x,m_y,m_z	-0.90000	-1.10000	2.10000
3	0.50000	0.76150	0.38510	m_x,-m_y,m_z	-0.90000	1.10000	2.10000
4	0.50000	0.23850	0.61490	m_x,-m_y,m_z	-0.90000	1.10000	2.10000
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5	0.00000	0.26150	0.11490	m_x,m_y,m_z	-0.90000	-1.10000	2.10000
6	0.00000	0.73850	0.88510	m_x,m_y,m_z	-0.90000	-1.10000	2.10000
7	0.00000	0.26150	0.38510	m_x,-m_y,m_z	-0.90000	1.10000	2.10000
8	0.00000	0.73850	0.61490	m_x,-m_y,m_z	-0.90000	1.10000	2.10000

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	m_x,m_y,m_z	-0.90000	-1.10000	2.10000
2	0.50000	0.23850	0.88510	m_x,m_y,m_z	-0.90000	-1.10000	2.10000
3	0.50000	0.76150	0.38510	m_x,-m_y,m_z	-0.90000	1.10000	2.10000
4	0.50000	0.23850	0.61490	m_x,-m_y,m_z	-0.90000	1.10000	2.10000
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5	0.00000	0.26150	0.11490	m_x,m_y,m_z	-0.90000	-1.10000	2.10000
6	0.00000	0.73850	0.88510	m_x,m_y,m_z	-0.90000	-1.10000	2.10000
7	0.00000	0.26150	0.38510	m_x,-m_y,m_z	-0.90000	1.10000	2.10000
8	0.00000	0.73850	0.61490	m_x,-m_y,m_z	-0.90000	1.10000	2.10000

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	0.85910
3	0.00000	0.09860	0.35910
4	0.00000	0.90140	0.64090
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5	0.50000	0.59860	0.14090
6	0.50000	0.40140	0.85910
7	0.50000	0.59860	0.35910
8	0.50000	0.40140	0.64090

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	0.95210
3	0.50000	0.85300	0.45210
4	0.50000	0.14700	0.54790
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5	0.00000	0.35300	0.04790
6	0.00000	0.64700	0.95210
7	0.00000	0.35300	0.45210
8	0.00000	0.64700	0.54790

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0	0.5175(9)	0.226(1)		8	m_x,m_y,m_z	0.9(1)	0.0	-1.1(2)	1.42
Co1	Co	0	0.5175(9)	0.226(1)	0.1	8	m_x,m_y,m_z	0.9(1)	0.0	-1.1(2)	1.42
Co2	Co	0	0	0	0.2	4	m_x,m_y,m_z	0.9(1)	1.1(2)	-2.1(1)	2.54
Cu2	Cu	0	0	0	0.2	4	m_x,m_y,m_z	0.9(1)	1.1(2)	-2.1(1)	2.54
Fe2	Fe	0	0	0	0.6	4	m_x,m_y,m_z	0.9(1)	1.1(2)	-2.1(1)	2.54
Fe3	Fe	0.5	0.7615(5)	0.1149(3)	0.7	8	m_x,m_y,m_z	-0.9(1)	-1.1(2)	2.1(1)	2.54
Co3	Co	0.5	0.7615(5)	0.1149(3)	0.3	8	m_x,m_y,m_z	-0.9(1)	-1.1(2)	2.1(1)	2.54

[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: