MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the parent setting (a_p,b_p,c_p) to the standard setting of the parent space group (a_pst,b_pst,c_pst):

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Transformation matrix from the setting of the parent structure (a_p,b_p,c_p) to the working setting (a,b,c):

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

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Transformation matrix from the working setting (a,b,c) to the standard setting of the magnetic space group (a_s,b_s,c_s):

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

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.0129(4)	0.0531(3)	0.2485(11)	1.	4	m_x,m_y,m_z	1.9(1)	0.0	0.9(1)	2.10
Fe1	Fe	0.00000	0.50000	0.00000	0.732(5)	2	m_x,m_y,m_z	-0.4(1)	2.6(2)	0.0	2.63
Mo1	Mo	0.50000	0.00000	0.00000	1.	2	m_x,m_y,m_z	0.0	-0.8(1)	0.0	0.80
Mo2	Mo	0.00000	0.50000	0.00000	0.268	2	m_x,m_y,m_z	-0.4	2.6	0.0	2.63

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
O1	O	0.3227(8)	0.3052(8)	0.0642(5)	1.	4
O2	O	0.1871(8)	0.8120(8)	0.0599(6)	1.	4
O3	O	-0.1192(3)	0.4441(3)	0.2558(6)	1.	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.01290	0.05310	0.24850	m_x,m_y,m_z	1.90000	0.90000
2	0.48710	0.55310	0.25150	-m_x,m_y,-m_z	-1.90000	-0.90000
3	0.98710	0.94690	0.75150	m_x,m_y,m_z	1.90000	0.90000
4	0.51290	0.44690	0.74850	-m_x,m_y,-m_z	-1.90000	-0.90000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,m_y,m_z	-0.40000	2.60000	0.00000
2	0.50000	0.00000	0.50000	-m_x,m_y,-m_z	0.40000	2.60000	0.00000

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	0.00000	-0.80000	0.00000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	0.00000	-0.80000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,m_y,m_z	-0.40000	2.60000	0.00000
2	0.50000	0.00000	0.50000	-m_x,m_y,-m_z	0.40000	2.60000	0.00000

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.0129(4)	0.0531(3)	0.2485(11)	1.	4	m_x,m_y,m_z	1.9(1)	0.0	0.9(1)	2.10
Fe1	Fe	0.00000	0.50000	0.00000	0.732(5)	2	m_x,m_y,m_z	-0.4(1)	2.6(2)	0.0	2.63
Mo1	Mo	0.50000	0.00000	0.00000	1.	2	m_x,m_y,m_z	0.0	-0.8(1)	0.0	0.80
Mo2	Mo	0.00000	0.50000	0.00000	0.268	2	m_x,m_y,m_z	-0.4	2.6	0.0	2.63

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.01290	0.05310	0.24850	m_x,m_y,m_z	1.90000	0.90000
2	0.48710	0.55310	0.25150	-m_x,m_y,-m_z	-1.90000	-0.90000
3	0.98710	0.94690	0.75150	m_x,m_y,m_z	1.90000	0.90000
4	0.51290	0.44690	0.74850	-m_x,m_y,-m_z	-1.90000	-0.90000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,m_y,m_z	-0.40000	2.60000	0.00000
2	0.50000	0.00000	0.50000	-m_x,m_y,-m_z	0.40000	2.60000	0.00000

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	0.00000	-0.80000	0.00000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	0.00000	-0.80000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,m_y,m_z	-0.40000	2.60000	0.00000
2	0.50000	0.00000	0.50000	-m_x,m_y,-m_z	0.40000	2.60000	0.00000

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1+	1	1	primary	9

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