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\|
Cr1	Cr	0.00000	0.00000	0.50000	0.66667	4	m_x,m_y,m_z	0.0	2.00(2)	0.0	2.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ca1	Ca	0.03730	0.25000	0.99140	0.66667	4
Pr1	Pr	0.03730	0.25000	0.99140	0.33333	4
Ta1	Ta	0.00000	0.00000	0.50000	0.33333	4
O1	O	0.48190	0.25000	0.07520	1.	4
O2	O	0.20870	0.54000	0.20730	1.	8

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.00000	0.00000	0.50000	m_x,m_y,m_z	2.00000
2	0.50000	0.00000	0.00000	-m_x,-m_y,m_z	-2.00000
3	0.50000	0.50000	0.00000	-m_x,m_y,m_z	2.00000
4	0.00000	0.50000	0.50000	m_x,-m_y,m_z	-2.00000

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1	Cr	0.00000	0.00000	0.50000	0.66667	4	m_x,m_y,m_z	0.0	2.00(2)	0.0	2.00

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.00000	0.00000	0.50000	m_x,m_y,m_z	2.00000
2	0.50000	0.00000	0.00000	-m_x,-m_y,m_z	-2.00000
3	0.50000	0.50000	0.00000	-m_x,m_y,m_z	2.00000
4	0.00000	0.50000	0.50000	m_x,-m_y,m_z	-2.00000

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	3

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