MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space group in the setting used:

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Cu1_1	Cu	0.25000	0.75000	0.75000	2	0,0,m_z	-0.93(4)	0.93
Cu1_2	Cu	0.75000	0.25000	0.75000	2	0,0,m_z	-0.93(4)	0.93
Cu1_3	Cu	0.75000	0.75000	0.25000	2	0,0,m_z	-0.93(4)	0.93
Fe1	Fe	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	4.33(4)	4.33

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ca1	Ca	0.25000	0.25000	0.25000	2
Sb1	Sb	0.50000	0.50000	0.50000	4
O1_1	O	0.75280	0.92560	0.05580	8
O1_2	O	0.05580	0.75280	0.92560	8
O1_3	O	0.92560	0.05580	0.75280	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_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.75000	0.75000	0,0,m_z	0.00000	0.00000	-0.93000
2	0.75000	0.25000	0.25000	0,0,m_z	0.00000	0.00000	-0.93000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75000	0.25000	0.75000	0,0,m_z	0.00000	0.00000	-0.93000
2	0.25000	0.75000	0.25000	0,0,m_z	0.00000	0.00000	-0.93000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75000	0.75000	0.25000	0,0,m_z	0.00000	0.00000	-0.93000
2	0.25000	0.25000	0.75000	0,0,m_z	0.00000	0.00000	-0.93000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	4.33000
2	0.50000	0.50000	0.00000	-m_x,-m_y,m_z	4.33000
3	0.50000	0.00000	0.50000	m_x,-m_y,m_z	4.33000
4	0.00000	0.50000	0.50000	-m_x,m_y,m_z	4.33000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ca1:

Atom	x	y	z
1	0.25000	0.25000	0.25000
2	0.75000	0.75000	0.75000

Set of atoms in the unit cell related by symmetry with the atom Sb1:

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Set of atoms in the unit cell related by symmetry with the atom O1_3:

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Cu1_1	Cu	0.25000	0.75000	0.75000	2	0,0,m_z	-0.93(4)	0.93
Cu1_2	Cu	0.75000	0.25000	0.75000	2	0,0,m_z	-0.93(4)	0.93
Cu1_3	Cu	0.75000	0.75000	0.25000	2	0,0,m_z	-0.93(4)	0.93
Fe1	Fe	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	4.33(4)	4.33

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mGM4+	3	3	special	primary	6

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