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_x	M_y	M_z	\|M\|
Fe1	Fe	0.27200	0.42510	0.54690	4	m_x,m_y,m_z	-2.9	0.4	-0.3	2.85
Fe2	Fe	0.45900	0.65380	0.92660	4	m_x,m_y,m_z	3.3	0.8	0.5	3.29
Fe3	Fe	0.00000	0.50000	0.00000	2	m_x,m_y,m_z	1.8	0.9	0.0	2.01

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ca1	Ca	0.80300	0.25000	0.57440	2
O1	O	0.46200	0.25000	0.91100	2
O2	O	0.90000	0.10690	0.82500	4
O3	O	0.63100	0.03160	0.28000	4
O4	O	0.17600	0.16740	0.34800	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.27200	0.42510	0.54690	m_x,m_y,m_z	-2.90000	0.40000	-0.30000
2	0.72800	0.92510	0.45310	-m_x,m_y,-m_z	2.90000	0.40000	0.30000
3	0.72800	0.57490	0.45310	m_x,m_y,m_z	-2.90000	0.40000	-0.30000
4	0.27200	0.07490	0.54690	-m_x,m_y,-m_z	2.90000	0.40000	0.30000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.45900	0.65380	0.92660	m_x,m_y,m_z	3.30000	0.80000	0.50000
2	0.54100	0.15380	0.07340	-m_x,m_y,-m_z	-3.30000	0.80000	-0.50000
3	0.54100	0.34620	0.07340	m_x,m_y,m_z	3.30000	0.80000	0.50000
4	0.45900	0.84620	0.92660	-m_x,m_y,-m_z	-3.30000	0.80000	-0.50000

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	1.80000	0.90000	0.00000
2	0.00000	0.00000	0.00000	-m_x,m_y,-m_z	-1.80000	0.90000	0.00000

Atom	x	y	z
1	0.80300	0.25000	0.57440
2	0.19700	0.75000	0.42560

Atom	x	y	z
1	0.46200	0.25000	0.91100
2	0.53800	0.75000	0.08900

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.27200	0.42510	0.54690	4	m_x,m_y,m_z	-2.9	0.4	-0.3	2.85
Fe2	Fe	0.45900	0.65380	0.92660	4	m_x,m_y,m_z	3.3	0.8	0.5	3.29
Fe3	Fe	0.00000	0.50000	0.00000	2	m_x,m_y,m_z	1.8	0.9	0.0	2.01

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.27200	0.42510	0.54690	m_x,m_y,m_z	-2.90000	0.40000	-0.30000
2	0.72800	0.92510	0.45310	-m_x,m_y,-m_z	2.90000	0.40000	0.30000
3	0.72800	0.57490	0.45310	m_x,m_y,m_z	-2.90000	0.40000	-0.30000
4	0.27200	0.07490	0.54690	-m_x,m_y,-m_z	2.90000	0.40000	0.30000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.45900	0.65380	0.92660	m_x,m_y,m_z	3.30000	0.80000	0.50000
2	0.54100	0.15380	0.07340	-m_x,m_y,-m_z	-3.30000	0.80000	-0.50000
3	0.54100	0.34620	0.07340	m_x,m_y,m_z	3.30000	0.80000	0.50000
4	0.45900	0.84620	0.92660	-m_x,m_y,-m_z	-3.30000	0.80000	-0.50000

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	1.80000	0.90000	0.00000
2	0.00000	0.00000	0.00000	-m_x,m_y,-m_z	-1.80000	0.90000	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