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

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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	0.9851(8)	0.3152(6)	0.5085(8)	8	m_x,m_y,m_z	0.448(4)	0.01(1)	0.674(3)	0.67

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1	P	0.2022(8)	0.0045(8)	0.2074(7)	8
O1	O	0	0.0500(1)	0.25	4
O2	O	0.3734(9)	0.9988(6)	0.3629(6)	8
O3	O	0.2196(9)	0.1524(8)	0.1117(8)	8
O4	O	0.1734(6)	0.8475(9)	0.1160(8)	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	0.98510	0.31520	0.50850	m_x,m_y,m_z	0.44800	0.01000	0.67400
2	0.01490	0.31520	0.99150	-m_x,m_y,-m_z	-0.44800	0.01000	-0.67400
3	0.01490	0.68480	0.49150	-m_x,-m_y,-m_z	-0.44800	-0.01000	-0.67400
4	0.98510	0.68480	0.00850	m_x,-m_y,m_z	0.44800	-0.01000	0.67400
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5	0.48510	0.81520	0.50850	m_x,m_y,m_z	0.44800	0.01000	0.67400
6	0.51490	0.81520	0.99150	-m_x,m_y,-m_z	-0.44800	0.01000	-0.67400
7	0.51490	0.18480	0.49150	-m_x,-m_y,-m_z	-0.44800	-0.01000	-0.67400
8	0.48510	0.18480	0.00850	m_x,-m_y,m_z	0.44800	-0.01000	0.67400

Non-magnetic atoms:

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

Atom	x	y	z
1	0.20220	0.00450	0.20740
2	0.79780	0.00450	0.29260
3	0.79780	0.99550	0.79260
4	0.20220	0.99550	0.70740
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5	0.70220	0.50450	0.20740
6	0.29780	0.50450	0.29260
7	0.29780	0.49550	0.79260
8	0.70220	0.49550	0.70740

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

Atom	x	y	z
1	0.00000	0.05000	0.25000
2	0.00000	0.95000	0.75000
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3	0.50000	0.55000	0.25000
4	0.50000	0.45000	0.75000

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

Atom	x	y	z
1	0.37340	0.99880	0.36290
2	0.62660	0.99880	0.13710
3	0.62660	0.00120	0.63710
4	0.37340	0.00120	0.86290
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5	0.87340	0.49880	0.36290
6	0.12660	0.49880	0.13710
7	0.12660	0.50120	0.63710
8	0.87340	0.50120	0.86290

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

Atom	x	y	z
1	0.21960	0.15240	0.11170
2	0.78040	0.15240	0.38830
3	0.78040	0.84760	0.88830
4	0.21960	0.84760	0.61170
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5	0.71960	0.65240	0.11170
6	0.28040	0.65240	0.38830
7	0.28040	0.34760	0.88830
8	0.71960	0.34760	0.61170

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

Atom	x	y	z
1	0.17340	0.84750	0.11600
2	0.82660	0.84750	0.38400
3	0.82660	0.15250	0.88400
4	0.17340	0.15250	0.61600
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5	0.67340	0.34750	0.11600
6	0.32660	0.34750	0.38400
7	0.32660	0.65250	0.88400
8	0.67340	0.65250	0.61600

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.9851(8)	0.3152(6)	0.5085(8)	8	m_x,m_y,m_z	0.448(4)	0.01(1)	0.674(3)	0.67

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1-	1	1	primary	3

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