MAGNDATA - Collection of Magnetic Structures

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	4	0,0,0	0.0	0.00
Fe2	Fe	0.51174	-0.00266	0.25000	4	m_x,m_y,0	2.3(1)	2.30
Fe3	Fe	0.50017	0.22596	0.00257	8	m_x,m_y,m_z	0.0	0.00
Fe4	Fe	0.74924	0.39071	0.25	4	m_x,m_y,0	2.3(2)	2.30
Fe5	Fe	0.25988	0.61513	0.25000	4	m_x,m_y,0	2.4(2)	2.40

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
B1	B	0.76520	0.13710	0.75000	4
B2	B	0.22920	0.86000	0.75000	4
O1	O	0.34510	0.45630	0.75000	4
O2	O	0.65850	0.54170	0.75000	4
O3	O	0.88800	0.42180	0.99040	8
O4	O	0.12550	0.36130	0.75000	4
O5	O	0.88090	0.63720	0.75000	4
O6	O	0.61330	0.35910	0.99750	8
O7	O	0.34350	0.26240	0.75000	4
O8	O	0.66200	0.73500	0.75000	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
1	0.00000	0.00000	0.00000	0,0,0
2	0.00000	0.00000	0.50000	0,0,0
3	0.50000	0.50000	0.50000	0,0,0
4	0.50000	0.50000	0.00000	0,0,0

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	0.51174	0.99734	0.25000	m_x,m_y,0	2.30000
2	0.48826	0.00266	0.75000	-m_x,-m_y,0	-2.30000
3	0.01174	0.50266	0.75000	-m_x,m_y,0	2.30000
4	0.98826	0.49734	0.25000	m_x,-m_y,0	-2.30000

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

Atom	x	y	z	Symmetry constraints on M
1	0.50017	0.22596	0.00257	m_x,m_y,m_z
2	0.49983	0.77404	0.50257	-m_x,-m_y,m_z
3	0.00017	0.27404	0.50257	-m_x,m_y,-m_z
4	0.99983	0.72596	0.00257	m_x,-m_y,-m_z
5	0.99983	0.72596	0.49743	m_x,-m_y,m_z
6	0.00017	0.27404	0.99743	-m_x,m_y,m_z
7	0.49983	0.77404	0.99743	-m_x,-m_y,-m_z
8	0.50017	0.22596	0.49743	m_x,m_y,-m_z

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	0.74924	0.39071	0.25000	m_x,m_y,0	2.30000
2	0.25076	0.60929	0.75000	-m_x,-m_y,0	-2.30000
3	0.24924	0.10929	0.75000	-m_x,m_y,0	2.30000
4	0.75076	0.89071	0.25000	m_x,-m_y,0	-2.30000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe5:

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.25988	0.61513	0.25000	m_x,m_y,0	2.40000
2	0.74012	0.38487	0.75000	-m_x,-m_y,0	-2.40000
3	0.75988	0.88487	0.75000	-m_x,m_y,0	2.40000
4	0.24012	0.11513	0.25000	m_x,-m_y,0	-2.40000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom B1:

Set of atoms in the unit cell related by symmetry with the atom B2:

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:

Set of atoms in the unit cell related by symmetry with the atom O8:

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	4	0,0,0	0.0	0.00
Fe2	Fe	0.51174	-0.00266	0.25000	4	m_x,m_y,0	2.3(1)	2.30
Fe3	Fe	0.50017	0.22596	0.00257	8	m_x,m_y,m_z	0.0	0.00
Fe4	Fe	0.74924	0.39071	0.25	4	m_x,m_y,0	2.3(2)	2.30
Fe5	Fe	0.25988	0.61513	0.25000	4	m_x,m_y,0	2.4(2)	2.40

label	dim. small irrep	dim. full irrep	action	number of modes
mGM4-	1	1	primary	9

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