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+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
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5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
7	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
8	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
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5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	0.61	-3.63	-0.8	3.83
Co2	Co	0.01010	0.35910	0.11420	8	m_x,m_y,m_z	1.03	-2.42	-2.29	3.82

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1	P	0.17020	0.69380	0.30240	8
O1	O	0.13645	0.64220	0.44550	8
O2	O	0.34405	0.69580	0.37500	8
O3	O	0.09510	0.57860	0.14320	8
O4	O	0.09515	0.86180	0.24350	8

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 Co1:

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	0.61000	-3.63000	-0.80000
2	0.50000	0.50000	0.50000	-m_x,m_y,-m_z	-0.61000	-3.63000	0.80000
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3	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	-0.61000	3.63000	0.80000
4	0.00000	0.50000	0.50000	m_x,-m_y,m_z	0.61000	3.63000	-0.80000

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	0.01010	0.35910	0.11420	m_x,m_y,m_z	1.03000	-2.42000	-2.29000
2	0.48990	0.85910	0.38580	-m_x,m_y,-m_z	-1.03000	-2.42000	2.29000
3	0.98990	0.64090	0.88580	m_x,m_y,m_z	1.03000	-2.42000	-2.29000
4	0.51010	0.14090	0.61420	-m_x,m_y,-m_z	-1.03000	-2.42000	2.29000
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5	0.51010	0.35910	0.11420	-m_x,-m_y,-m_z	-1.03000	2.42000	2.29000
6	0.98990	0.85910	0.38580	m_x,-m_y,m_z	1.03000	2.42000	-2.29000
7	0.48990	0.64090	0.88580	-m_x,-m_y,-m_z	-1.03000	2.42000	2.29000
8	0.01010	0.14090	0.61420	m_x,-m_y,m_z	1.03000	2.42000	-2.29000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom P1:

Atom	x	y	z
1	0.17020	0.69380	0.30240
2	0.32980	0.19380	0.19760
3	0.82980	0.30620	0.69760
4	0.67020	0.80620	0.80240
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5	0.67020	0.69380	0.30240
6	0.82980	0.19380	0.19760
7	0.32980	0.30620	0.69760
8	0.17020	0.80620	0.80240

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

Atom	x	y	z
1	0.13645	0.64220	0.44550
2	0.36355	0.14220	0.05450
3	0.86355	0.35780	0.55450
4	0.63645	0.85780	0.94550
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5	0.63645	0.64220	0.44550
6	0.86355	0.14220	0.05450
7	0.36355	0.35780	0.55450
8	0.13645	0.85780	0.94550

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

Atom	x	y	z
1	0.34405	0.69580	0.37500
2	0.15595	0.19580	0.12500
3	0.65595	0.30420	0.62500
4	0.84405	0.80420	0.87500
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5	0.84405	0.69580	0.37500
6	0.65595	0.19580	0.12500
7	0.15595	0.30420	0.62500
8	0.34405	0.80420	0.87500

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

Atom	x	y	z
1	0.09510	0.57860	0.14320
2	0.40490	0.07860	0.35680
3	0.90490	0.42140	0.85680
4	0.59510	0.92140	0.64320
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5	0.59510	0.57860	0.14320
6	0.90490	0.07860	0.35680
7	0.40490	0.42140	0.85680
8	0.09510	0.92140	0.64320

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

Atom	x	y	z
1	0.09515	0.86180	0.24350
2	0.40485	0.36180	0.25650
3	0.90485	0.13820	0.75650
4	0.59515	0.63820	0.74350
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5	0.59515	0.86180	0.24350
6	0.90485	0.36180	0.25650
7	0.40485	0.13820	0.75650
8	0.09515	0.63820	0.74350

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	0.61	-3.63	-0.8	3.83
Co2	Co	0.01010	0.35910	0.11420	8	m_x,m_y,m_z	1.03	-2.42	-2.29	3.82

label	dim. small irrep	dim. full irrep	action	number of modes
mY2+	1	1	primary	6

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