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\|
Mn1_1	Mn	0.00000	0.00000	0.50000	2	m_x,m_y,m_z	0.037	3.4	0.012	3.40
Mn1_2	Mn	0.50000	0.00000	0.00000	2	m_x,m_y,m_z	0.426	3.483	0.312	3.52
Mn2	Mn	0.28619	0.25000	0.73938	4	m_x,m_y,m_z	-0.056	3.961	-1.166	4.13

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cs1	Cs	0.99408	0.25000	0.12889	4
F1	F	0.93570	0.25000	0.45320	4
F2_1	F	0.63723	0.51890	0.15403	4
F2_2	F	0.86277	0.48110	0.65403	4
F3_1	F	0.28952	0.56702	0.08931	4
F3_2	F	0.21048	0.43298	0.58931	4
F4	F	0.04500	0.25000	0.83652	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 Mn1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	m_x,m_y,m_z	0.03700	3.40000	0.01200
2	0.50000	0.50000	0.00000	m_x,-m_y,-m_z	0.03700	-3.40000	-0.01200

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	0.42600	3.48300	0.31200
2	0.00000	0.50000	0.50000	m_x,-m_y,-m_z	0.42600	-3.48300	-0.31200

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.28619	0.25000	0.73938	m_x,m_y,m_z	-0.05600	3.96100	-1.16600
2	0.78619	0.25000	0.76062	m_x,-m_y,-m_z	-0.05600	-3.96100	1.16600
3	0.71381	0.75000	0.26062	m_x,m_y,m_z	-0.05600	3.96100	-1.16600
4	0.21381	0.75000	0.23938	m_x,-m_y,-m_z	-0.05600	-3.96100	1.16600

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Cs1:

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 F2_1:

Set of atoms in the unit cell related by symmetry with the atom F2_2:

Set of atoms in the unit cell related by symmetry with the atom F3_1:

Set of atoms in the unit cell related by symmetry with the atom F3_2:

Set of atoms in the unit cell related by symmetry with the atom F4:

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.00000	0.00000	0.50000	2	m_x,m_y,m_z	0.037	3.4	0.012	3.40
Mn1_2	Mn	0.50000	0.00000	0.00000	2	m_x,m_y,m_z	0.426	3.483	0.312	3.52
Mn2	Mn	0.28619	0.25000	0.73938	4	m_x,m_y,m_z	-0.056	3.961	-1.166	4.13

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