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_y	\|M\|
Mn1	Mn	0.00803	0.05181	0.24903	1.	4	m_x,m_y,m_z	0.0	0.00
Fe1	Fe	0.50000	0.00000	0.50000	0.732	2	m_x,m_y,m_z	2.5(2)	2.50
Mo1	Mo	0.50000	0.00000	0.00000	1.	2	m_x,m_y,m_z	-1.1(1)	1.10
Mo2	Mo	0.50000	0.00000	0.50000	0.268	2	m_x,m_y,m_z	2.5	2.50

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
O1	O	0.32070	0.30620	0.06420	1.	4
O2	O	0.18530	0.81240	0.05870	1.	4
O3	O	0.88290	0.44482	0.25280	1.	4

Atom	x	y	z	Symmetry constraints on M
1	0.00803	0.05181	0.24903	m_x,m_y,m_z
2	0.49197	0.55181	0.25097	-m_x,m_y,-m_z
3	0.99197	0.94819	0.75097	m_x,m_y,m_z
4	0.50803	0.44819	0.74903	-m_x,m_y,-m_z

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.50000	m_x,m_y,m_z	0.00000	2.50000	0.00000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	0.00000	2.50000	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	-1.10000	0.00000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	0.00000	-1.10000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.50000	m_x,m_y,m_z	0.00000	2.50000	0.00000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	0.00000	2.50000	0.00000

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Mn1	Mn	0.00803	0.05181	0.24903	1.	4	m_x,m_y,m_z	0.0	0.00
Fe1	Fe	0.50000	0.00000	0.50000	0.732	2	m_x,m_y,m_z	2.5(2)	2.50
Mo1	Mo	0.50000	0.00000	0.00000	1.	2	m_x,m_y,m_z	-1.1(1)	1.10
Mo2	Mo	0.50000	0.00000	0.50000	0.268	2	m_x,m_y,m_z	2.5	2.50

Atom	x	y	z	Symmetry constraints on M
1	0.00803	0.05181	0.24903	m_x,m_y,m_z
2	0.49197	0.55181	0.25097	-m_x,m_y,-m_z
3	0.99197	0.94819	0.75097	m_x,m_y,m_z
4	0.50803	0.44819	0.74903	-m_x,m_y,-m_z

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.50000	m_x,m_y,m_z	0.00000	2.50000	0.00000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	0.00000	2.50000	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	-1.10000	0.00000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	0.00000	-1.10000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.50000	m_x,m_y,m_z	0.00000	2.50000	0.00000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	0.00000	2.50000	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