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_x	M_y	M_z	\|M\|
Cu1	Cu	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	0.144(9)	0.02(2)	-0.05(2)	0.15
Cu2	Cu	0.25043	0.50911	0.24664	8	m_x,m_y,m_z	0.361(7)	0.19(1)	0.0	0.41
Cu3	Cu	0.18626	0.25000	0.05632	4	m_x,0,m_z	0.493(9)	0.0	0.20(3)	0.53

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
F1	F	0.49790	0.25000	0.00340	4
Br1	Br	0.33098	0.25000	0.49849	4
O1	O	0.29645	0.09645	0.00154	8
O2	O	0.10142	0.09037	0.19980	8
O3	O	0.40072	0.58753	0.30200	8
D1	D	0.37764	0.12684	0.99880	8
D2	D	0.06298	0.13636	0.31300	8
D3	D	0.44052	0.63892	0.19124	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	0.00000	0.00000	0.00000	m_x,m_y,m_z	0.14400	0.02000	-0.05000
2	0.50000	0.00000	0.50000	-m_x,-m_y,m_z	-0.14400	-0.02000	-0.05000
3	0.50000	0.50000	0.50000	-m_x,m_y,m_z	-0.14400	0.02000	-0.05000
4	0.00000	0.50000	0.00000	m_x,-m_y,m_z	0.14400	-0.02000	-0.05000

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
1	0.25043	0.50911	0.24664	m_x,m_y,m_z	0.36100	0.19000
2	0.24957	0.49089	0.74664	-m_x,-m_y,m_z	-0.36100	-0.19000
3	0.74957	0.49089	0.75336	m_x,m_y,m_z	0.36100	0.19000
4	0.75043	0.50911	0.25336	-m_x,-m_y,m_z	-0.36100	-0.19000
5	0.75043	0.99089	0.25336	-m_x,m_y,m_z	-0.36100	0.19000
6	0.74957	0.00911	0.75336	m_x,-m_y,m_z	0.36100	-0.19000
7	0.24957	0.00911	0.74664	-m_x,m_y,m_z	-0.36100	0.19000
8	0.25043	0.99089	0.24664	m_x,-m_y,m_z	0.36100	-0.19000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.18626	0.25000	0.05632	m_x,0,m_z	0.49300	0.20000
2	0.31374	0.75000	0.55632	-m_x,0,m_z	-0.49300	0.20000
3	0.81374	0.75000	0.94368	m_x,0,m_z	0.49300	0.20000
4	0.68626	0.25000	0.44368	-m_x,0,m_z	-0.49300	0.20000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom F1:

Set of atoms in the unit cell related by symmetry with the atom Br1:

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

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

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

Set of atoms in the unit cell related by symmetry with the atom D1:

Set of atoms in the unit cell related by symmetry with the atom D2:

Set of atoms in the unit cell related by symmetry with the atom D3:

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	0.144(9)	0.02(2)	-0.05(2)	0.15
Cu2	Cu	0.25043	0.50911	0.24664	8	m_x,m_y,m_z	0.361(7)	0.19(1)	0.0	0.41
Cu3	Cu	0.18626	0.25000	0.05632	4	m_x,0,m_z	0.493(9)	0.0	0.20(3)	0.53

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	8

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