MAGNDATA - Collection of Magnetic Structures

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\|
Nd1	Nd	0.06400	0.25000	0.97300	1.	4	0,m_y,0	0.0	1.64(5)	0.0	1.64
Mn1	Mn	0.00000	0.00000	0.50000	0.8	4	m_x,m_y,m_z	-2.97(4)	0.19(6)	0.7(1)	3.06
Fe1	Fe	0.00000	0.00000	0.50000	0.2	4	m_x,m_y,m_z	0.0	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
O1	O	0.47800	0.25000	0.08700	1.	4
O2	O	0.31500	0.04000	0.70800	1.	8

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.06400	0.25000	0.97300	0,m_y,0	1.64000
2	0.93600	0.75000	0.02700	0,m_y,0	1.64000
3	0.56400	0.25000	0.52700	0,m_y,0	1.64000
4	0.43600	0.75000	0.47300	0,m_y,0	1.64000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	m_x,m_y,m_z	-2.97000	0.19000	0.70000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	2.97000	0.19000	-0.70000
3	0.50000	0.50000	0.00000	-m_x,m_y,m_z	2.97000	0.19000	0.70000
4	0.50000	0.00000	0.00000	m_x,m_y,-m_z	-2.97000	0.19000	-0.70000

Atom	x	y	z	Symmetry constraints on M
1	0.00000	0.00000	0.50000	m_x,m_y,m_z
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z
3	0.50000	0.50000	0.00000	-m_x,m_y,m_z
4	0.50000	0.00000	0.00000	m_x,m_y,-m_z

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.06400	0.25000	0.97300	1.	4	0,m_y,0	0.0	1.64(5)	0.0	1.64
Mn1	Mn	0.00000	0.00000	0.50000	0.8	4	m_x,m_y,m_z	-2.97(4)	0.19(6)	0.7(1)	3.06
Fe1	Fe	0.00000	0.00000	0.50000	0.2	4	m_x,m_y,m_z	0.0	0.0	0.0	0.00

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.06400	0.25000	0.97300	0,m_y,0	1.64000
2	0.93600	0.75000	0.02700	0,m_y,0	1.64000
3	0.56400	0.25000	0.52700	0,m_y,0	1.64000
4	0.43600	0.75000	0.47300	0,m_y,0	1.64000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	m_x,m_y,m_z	-2.97000	0.19000	0.70000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	2.97000	0.19000	-0.70000
3	0.50000	0.50000	0.00000	-m_x,m_y,m_z	2.97000	0.19000	0.70000
4	0.50000	0.00000	0.00000	m_x,m_y,-m_z	-2.97000	0.19000	-0.70000

Atom	x	y	z	Symmetry constraints on M
1	0.00000	0.00000	0.50000	m_x,m_y,m_z
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z
3	0.50000	0.50000	0.00000	-m_x,m_y,m_z
4	0.50000	0.00000	0.00000	m_x,m_y,-m_z

label	dim. small irrep	dim. full irrep	action	number of modes
mGM4+	1	1	primary	4

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