MAGNDATA - Collection of Magnetic Structures

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Fe1	Fe	0.02150	0.25000	0.31410	0.144(6)	4	0,m_y,0	-0.48(6)	0.48
Fe2	Fe	0.06610	0.25000	0.53830	1.	4	0,m_y,0	0.46(5)	0.46
Fe3	Fe	0.30510	0.25000	0.12210	1.	4	0,m_y,0	1.71(5)	1.71
Fe4	Fe	0.31550	0.25000	0.72310	1.	4	0,m_y,0	1.58(5)	1.58

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Cr1	Cr	0.02150	0.25000	0.31410	0.856(6)	4
Ca1	Ca	0.33817	0.25000	0.43050	1.	4
As1	As	0.36728	0.25000	0.92156	1.	4
As2	As	0.11435	0.25000	0.73819	1.	4
As3	As	0.10028	0.25000	0.11972	1.	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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.02150	0.25000	0.31410	0,m_y,0	-0.48000
2	0.52150	0.25000	0.18590	0,-m_y,0	0.48000
3	0.97850	0.75000	0.68590	0,-m_y,0	0.48000
4	0.47850	0.75000	0.81410	0,m_y,0	-0.48000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.06610	0.25000	0.53830	0,m_y,0	0.46000
2	0.56610	0.25000	0.96170	0,-m_y,0	-0.46000
3	0.93390	0.75000	0.46170	0,-m_y,0	-0.46000
4	0.43390	0.75000	0.03830	0,m_y,0	0.46000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3:

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.30510	0.25000	0.12210	0,m_y,0	1.71000
2	0.80510	0.25000	0.37790	0,-m_y,0	-1.71000
3	0.69490	0.75000	0.87790	0,-m_y,0	-1.71000
4	0.19490	0.75000	0.62210	0,m_y,0	1.71000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4:

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.31550	0.25000	0.72310	0,m_y,0	1.58000
2	0.81550	0.25000	0.77690	0,-m_y,0	-1.58000
3	0.68450	0.75000	0.27690	0,-m_y,0	-1.58000
4	0.18450	0.75000	0.22310	0,m_y,0	1.58000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Cr1:

Set of atoms in the unit cell related by symmetry with the atom Ca1:

Set of atoms in the unit cell related by symmetry with the atom As1:

Set of atoms in the unit cell related by symmetry with the atom As2:

Set of atoms in the unit cell related by symmetry with the atom As3:

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Fe1	Fe	0.02150	0.25000	0.31410	0.144(6)	4	0,m_y,0	-0.48(6)	0.48
Fe2	Fe	0.06610	0.25000	0.53830	1.	4	0,m_y,0	0.46(5)	0.46
Fe3	Fe	0.30510	0.25000	0.12210	1.	4	0,m_y,0	1.71(5)	1.71
Fe4	Fe	0.31550	0.25000	0.72310	1.	4	0,m_y,0	1.58(5)	1.58

label	dim. small irrep	dim. full irrep	action	number of modes
mGM3-	1	1	primary	4

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