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\|
Fe1	Fe	0.00000	0.00000	0.00000	0.977(6)	2	0,0,m_z	0.0	0.0	3.51(4)	3.51

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Nb1	Nb	0.00000	0.00000	0.25000	1.	2
Nb2	Nb	0.49410	0.98820	0.25000	1.	6
S1	S	0.33333	0.66667	0.6154(7)	1.	4
S2	S	0.8343(4)	0.6686(4)	0.6195(4)	1.	12

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	3.51000
2	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-3.51000

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.00000	0.00000	0.75000

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	0.977(6)	2	0,0,m_z	0.0	0.0	3.51(4)	3.51

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	3.51000
2	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-3.51000

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

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