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	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Fe1	Fe	0.27420	0.42480	0.54800	4	m_x,m_y,m_z	-3.8	3.80
Fe2	Fe	0.47040	0.65370	0.92570	4	m_x,m_y,m_z	3.9	3.90
Fe3	Fe	0.00000	0.50000	0.00000	2	m_x,m_y,m_z	3.5	3.50

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ca1	Ca	0.78400	0.25000	0.57150	2
O1	O	0.65200	0.25000	0.91440	2
O2	O	0.90510	0.10650	0.82430	4
O3	O	0.66070	0.03180	0.28360	4
O4	O	0.18100	0.16820	0.35000	4

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.27420	0.42480	0.54800	m_x,m_y,m_z	-3.80000
2	0.72580	0.57520	0.45200	m_x,m_y,m_z	-3.80000
3	0.72580	0.92480	0.45200	m_x,-m_y,m_z	3.80000
4	0.27420	0.07520	0.54800	m_x,-m_y,m_z	3.80000

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.47040	0.65370	0.92570	m_x,m_y,m_z	3.90000
2	0.52960	0.34630	0.07430	m_x,m_y,m_z	3.90000
3	0.52960	0.15370	0.07430	m_x,-m_y,m_z	-3.90000
4	0.47040	0.84630	0.92570	m_x,-m_y,m_z	-3.90000

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	0.00000	3.50000	0.00000
2	0.00000	0.00000	0.00000	m_x,-m_y,m_z	0.00000	-3.50000	0.00000

Atom	x	y	z
1	0.78400	0.25000	0.57150
2	0.21600	0.75000	0.42850

Atom	x	y	z
1	0.65200	0.25000	0.91440
2	0.34800	0.75000	0.08560

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Fe1	Fe	0.27420	0.42480	0.54800	4	m_x,m_y,m_z	-3.8	3.80
Fe2	Fe	0.47040	0.65370	0.92570	4	m_x,m_y,m_z	3.9	3.90
Fe3	Fe	0.00000	0.50000	0.00000	2	m_x,m_y,m_z	3.5	3.50

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.27420	0.42480	0.54800	m_x,m_y,m_z	-3.80000
2	0.72580	0.57520	0.45200	m_x,m_y,m_z	-3.80000
3	0.72580	0.92480	0.45200	m_x,-m_y,m_z	3.80000
4	0.27420	0.07520	0.54800	m_x,-m_y,m_z	3.80000

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.47040	0.65370	0.92570	m_x,m_y,m_z	3.90000
2	0.52960	0.34630	0.07430	m_x,m_y,m_z	3.90000
3	0.52960	0.15370	0.07430	m_x,-m_y,m_z	-3.90000
4	0.47040	0.84630	0.92570	m_x,-m_y,m_z	-3.90000

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	0.00000	3.50000	0.00000
2	0.00000	0.00000	0.00000	m_x,-m_y,m_z	0.00000	-3.50000	0.00000

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	9

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