MAGNDATA - Collection of Magnetic Structures

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Cu1	Cu	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	0.7(2)	0.7(2)	0.99
Cu2	Cu	0.33860	0.25000	0.64260	4	m_x,m_y,m_z	0.0	0.0	0.00
Cu3	Cu	0.20550	0.25000	0.43720	4	m_x,m_y,m_z	0.7(2)	0.7(2)	0.99

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Mo1	Mo	0.26570	0.25000	0.16880	4
Mo2	Mo	0.34320	0.25000	0.88590	4
O1	O	0.41140	0.25000	0.51490	4
O2	O	0.29200	0.25000	0.77010	4
O3	O	0.06390	0.25000	0.59570	4
O4_1	O	0.24900	0.96360	0.43940	4
O4_2	O	0.75100	0.03640	0.56060	4
O5_1	O	0.14070	0.03960	0.13750	4
O5_2	O	0.85930	0.96040	0.86250	4
O6	O	0.30370	0.25000	0.28520	4
O7	O	0.46990	0.25000	0.11040	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_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	0.70000	0.70000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	-0.70000	-0.70000
3	0.50000	0.50000	0.50000	-m_x,m_y,m_z	-0.70000	0.70000
4	0.50000	0.00000	0.50000	m_x,m_y,-m_z	0.70000	-0.70000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu2:

Atom	x	y	z	Symmetry constraints on M
1	0.33860	0.25000	0.64260	m_x,m_y,m_z
2	0.66140	0.75000	0.35740	-m_x,m_y,-m_z
3	0.83860	0.25000	0.85740	-m_x,m_y,m_z
4	0.16140	0.75000	0.14260	m_x,m_y,-m_z

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	0.20550	0.25000	0.43720	m_x,m_y,m_z	0.70000	0.70000
2	0.79450	0.75000	0.56280	-m_x,m_y,-m_z	-0.70000	-0.70000
3	0.70550	0.25000	0.06280	-m_x,m_y,m_z	-0.70000	0.70000
4	0.29450	0.75000	0.93720	m_x,m_y,-m_z	0.70000	-0.70000

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 Mo2:

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_1:

Set of atoms in the unit cell related by symmetry with the atom O4_2:

Set of atoms in the unit cell related by symmetry with the atom O5_1:

Set of atoms in the unit cell related by symmetry with the atom O5_2:

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:

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Cu1	Cu	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	0.7(2)	0.7(2)	0.99
Cu2	Cu	0.33860	0.25000	0.64260	4	m_x,m_y,m_z	0.0	0.0	0.00
Cu3	Cu	0.20550	0.25000	0.43720	4	m_x,m_y,m_z	0.7(2)	0.7(2)	0.99

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