MAGNDATA - Collection of Magnetic Structures

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.37500	0.12500	8	m_x,m_y,m_z	4.34	0.0	4.34
Mn2_1	Mn	0.00000	0.00000	0.50000	4	0,m_y,m_z	-1.38	3.37	3.64
Mn2_2	Mn	0.25000	0.37500	0.75000	8	m_x,m_y,m_z	-1.08	3.07	3.25
Mn2_3	Mn	0.50000	0.25000	0.00000	4	m_x,m_y,m_z	-1.38	3.37	3.64

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.00000	0.23540	0.25840	8
O1_2	O	0.77920	0.37500	0.50840	8
O1_3	O	0.72080	0.37500	0.99160	8
O1_4	O	0.50000	0.48540	0.75840	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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.00000	0.37500	0.12500	m_x,m_y,m_z	4.34000
2	0.50000	0.87500	0.37500	-m_x,m_y,-m_z	4.34000
3	0.00000	0.12500	0.87500	m_x,m_y,m_z	4.34000
4	0.50000	0.62500	0.62500	-m_x,m_y,-m_z	4.34000
5	0.50000	0.12500	0.62500	m_x,m_y,-m_z	4.34000
6	0.00000	0.62500	0.87500	-m_x,m_y,m_z	4.34000
7	0.50000	0.37500	0.37500	m_x,m_y,-m_z	4.34000
8	0.00000	0.87500	0.12500	-m_x,m_y,m_z	4.34000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_1:

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.00000	0.00000	0.50000	0,m_y,m_z	-1.38000	3.37000
2	0.50000	0.50000	0.00000	0,m_y,-m_z	-1.38000	-3.37000
3	0.00000	0.50000	0.50000	0,m_y,m_z	-1.38000	3.37000
4	0.50000	0.00000	0.00000	0,m_y,-m_z	-1.38000	-3.37000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_2:

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.25000	0.37500	0.75000	m_x,m_y,m_z	-1.08000	3.07000
2	0.25000	0.87500	0.75000	-m_x,m_y,-m_z	-1.08000	-3.07000
3	0.75000	0.12500	0.25000	m_x,m_y,m_z	-1.08000	3.07000
4	0.75000	0.62500	0.25000	-m_x,m_y,-m_z	-1.08000	-3.07000
5	0.25000	0.12500	0.25000	m_x,m_y,-m_z	-1.08000	-3.07000
6	0.25000	0.62500	0.25000	-m_x,m_y,m_z	-1.08000	3.07000
7	0.75000	0.37500	0.75000	m_x,m_y,-m_z	-1.08000	-3.07000
8	0.75000	0.87500	0.75000	-m_x,m_y,m_z	-1.08000	3.07000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_3:

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.50000	0.25000	0.00000	m_x,m_y,m_z	-1.38000	3.37000
2	0.00000	0.75000	0.50000	-m_x,m_y,-m_z	-1.38000	-3.37000
3	0.00000	0.25000	0.50000	m_x,m_y,-m_z	-1.38000	-3.37000
4	0.50000	0.75000	0.00000	-m_x,m_y,m_z	-1.38000	3.37000

Non-magnetic atoms:

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:

Set of atoms in the unit cell related by symmetry with the atom O1_4:

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.37500	0.12500	8	m_x,m_y,m_z	4.34	0.0	4.34
Mn2_1	Mn	0.00000	0.00000	0.50000	4	0,m_y,m_z	-1.38	3.37	3.64
Mn2_2	Mn	0.25000	0.37500	0.75000	8	m_x,m_y,m_z	-1.08	3.07	3.25
Mn2_3	Mn	0.50000	0.25000	0.00000	4	m_x,m_y,m_z	-1.38	3.37	3.64

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