MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space group in the setting used:

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1a	Fe	0.617(1)	0.617(1)	0	1	4	0,0,m_z	5.2(1)	5.20
Fe1b	Fe	0.872(1)	0.361(1)	0.007(1)	0.805(4)	8	0,0,m_z	2.6(1)	2.60
Fe2	Fe	0.750(1)	0.996(1)	0.122(1)	1	8	0,0,m_z	-3.9(1)	3.90

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Li1	Li	0.157(19)	0.157(19)	0		4
Al1	Al	0.157(19)	0.157(19)	0	0.39(1)	4
Li2	Li	0.872(1)	0.361(1)	0.007(1)	0.195(4)	8
O1	O	0.149(1)	0.381(2)	0.508(2)	1	8
O2a	O	0.871(2)	0.130(2)	0.512(1)	1	8
O2b	O	0.125(2)	0.113(2)	0.252(1)	1	8
O2c	O	0.870(2)	0.380(2)	0.240(2)	1	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 Fe1a:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.61700	0.61700	0.00000	0,0,m_z	5.20000
2	0.88300	0.11700	0.75000	0,0,m_z	5.20000
3	0.38300	0.38300	0.50000	0,0,m_z	5.20000
4	0.11700	0.88300	0.25000	0,0,m_z	5.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1b:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.87200	0.36100	0.00700	0,0,m_z	2.60000
2	0.36100	0.87200	0.99300	0,0,m_z	2.60000
3	0.13900	0.37200	0.75700	0,0,m_z	2.60000
4	0.62800	0.86100	0.74300	0,0,m_z	2.60000
5	0.12800	0.63900	0.50700	0,0,m_z	2.60000
6	0.63900	0.12800	0.49300	0,0,m_z	2.60000
7	0.86100	0.62800	0.25700	0,0,m_z	2.60000
8	0.37200	0.13900	0.24300	0,0,m_z	2.60000

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

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.75000	0.99600	0.12200	0,0,m_z	-3.90000
2	0.99600	0.75000	0.87800	0,0,m_z	-3.90000
3	0.50400	0.25000	0.87200	0,0,m_z	-3.90000
4	0.75000	0.49600	0.62800	0,0,m_z	-3.90000
5	0.25000	0.00400	0.62200	0,0,m_z	-3.90000
6	0.00400	0.25000	0.37800	0,0,m_z	-3.90000
7	0.49600	0.75000	0.37200	0,0,m_z	-3.90000
8	0.25000	0.50400	0.12800	0,0,m_z	-3.90000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Li1:

Set of atoms in the unit cell related by symmetry with the atom Al1:

Set of atoms in the unit cell related by symmetry with the atom Li2:

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 O2a:

Set of atoms in the unit cell related by symmetry with the atom O2b:

Set of atoms in the unit cell related by symmetry with the atom O2c:

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1a	Fe	0.617(1)	0.617(1)	0	1	4	0,0,m_z	5.2(1)	5.20
Fe1b	Fe	0.872(1)	0.361(1)	0.007(1)	0.805(4)	8	0,0,m_z	2.6(1)	2.60
Fe2	Fe	0.750(1)	0.996(1)	0.122(1)	1	8	0,0,m_z	-3.9(1)	3.90

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mGM3	1	1	general	primary	3

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