MAGNDATA - Collection of Magnetic Structures

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.31690	0.99290	0.38010	4	m_x,m_y,m_z	0.44(5)	0.18(7)	0.69(5)	0.74
Cu2	Cu	0.31660	0.99330	0.02764	4	m_x,m_y,m_z	0.06(6)	0.00(8)	0.73(3)	0.72

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Mo1	Mo	0.12180	0.28640	0.16200	4
Se1	Se	0.32180	0.67290	0.20290	4
O1	O	0.37200	0.85580	0.21200	4
O2	O	0.43500	0.61310	0.38870	4
O3	O	0.43800	0.60870	0.07800	4
O4	O	0.21230	0.10780	0.17500	4
O5	O	0.17300	0.39070	0.00040	4
O6	O	0.00000	0.27100	0.10800	4
O7	O	0.18750	0.39950	0.34100	4

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	0.31690	0.99290	0.38010	m_x,m_y,m_z	0.44000	0.18000	0.69000
2	0.31690	0.50710	0.88010	-m_x,m_y,-m_z	-0.44000	0.18000	-0.69000
3	0.68310	0.49290	0.11990	m_x,-m_y,m_z	0.44000	-0.18000	0.69000
4	0.68310	0.00710	0.61990	-m_x,-m_y,-m_z	-0.44000	-0.18000	-0.69000

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_z
1	0.31660	0.99330	0.02764	m_x,m_y,m_z	0.06000	0.73000
2	0.31660	0.50670	0.52764	-m_x,m_y,-m_z	-0.06000	-0.73000
3	0.68340	0.49330	0.47236	m_x,-m_y,m_z	0.06000	0.73000
4	0.68340	0.00670	0.97236	-m_x,-m_y,-m_z	-0.06000	-0.73000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Mo1:

Set of atoms in the unit cell related by symmetry with the atom Se1:

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 O4:

Set of atoms in the unit cell related by symmetry with the atom O5:

Set of atoms in the unit cell related by symmetry with the atom O6:

Set of atoms in the unit cell related by symmetry with the atom O7:

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.31690	0.99290	0.38010	4	m_x,m_y,m_z	0.44(5)	0.18(7)	0.69(5)	0.74
Cu2	Cu	0.31660	0.99330	0.02764	4	m_x,m_y,m_z	0.06(6)	0.00(8)	0.73(3)	0.72

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2-	1	1	primary	6

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