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	{ 2₀₁₀ \| 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y,z,+1	{ m₀₁₀ \| 0 }
(1/2,1/2,0) + set click here to show and hide
5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
7	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
8	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.25000	0.25000	0.00000	4	m_x,m_y,m_z	0.83(5)	-0.47(4)	0.30(9)	0.86
Cu2	Cu	0.0724	0	0.2180	4	0,m_y,0	0.0	0.86(5)	0.0	0.86

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
S1	S	0.1019	0.5	0.3160	4
O1	O	0.2055	0.5	0.2235	4
O2	O	0.2930	0	0.4500	4
O3	O	0.1525	0	0.0210	4
O4	O	0.4940	0.1892	0.2450	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 Cu1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.00000	m_x,m_y,m_z	0.83000	-0.47000	0.30000
2	0.75000	0.25000	0.00000	-m_x,m_y,-m_z	-0.83000	-0.47000	-0.30000
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3	0.75000	0.75000	0.00000	m_x,m_y,m_z	0.83000	-0.47000	0.30000
4	0.25000	0.75000	0.00000	-m_x,m_y,-m_z	-0.83000	-0.47000	-0.30000

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	0.07240	0.00000	0.21800	0,m_y,0	0.00000	0.86000	0.00000
2	0.92760	0.00000	0.78200	0,m_y,0	0.00000	0.86000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.57240	0.50000	0.21800	0,m_y,0	0.00000	0.86000	0.00000
4	0.42760	0.50000	0.78200	0,m_y,0	0.00000	0.86000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom S1:

Atom	x	y	z
1	0.10190	0.50000	0.31600
2	0.89810	0.50000	0.68400
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3	0.60190	0.00000	0.31600
4	0.39810	0.00000	0.68400

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

Atom	x	y	z
1	0.20550	0.50000	0.22350
2	0.79450	0.50000	0.77650
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3	0.70550	0.00000	0.22350
4	0.29450	0.00000	0.77650

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

Atom	x	y	z
1	0.29300	0.00000	0.45000
2	0.70700	0.00000	0.55000
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3	0.79300	0.50000	0.45000
4	0.20700	0.50000	0.55000

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

Atom	x	y	z
1	0.15250	0.00000	0.02100
2	0.84750	0.00000	0.97900
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3	0.65250	0.50000	0.02100
4	0.34750	0.50000	0.97900

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

Atom	x	y	z
1	0.49400	0.18920	0.24500
2	0.50600	0.18920	0.75500
3	0.50600	0.81080	0.75500
4	0.49400	0.81080	0.24500
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5	0.99400	0.68920	0.24500
6	0.00600	0.68920	0.75500
7	0.00600	0.31080	0.75500
8	0.99400	0.31080	0.24500

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.25000	0.25000	0.00000	4	m_x,m_y,m_z	0.83(5)	-0.47(4)	0.30(9)	0.86
Cu2	Cu	0.0724	0	0.2180	4	0,m_y,0	0.0	0.86(5)	0.0	0.86

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1+	1	1	primary	4

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