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\|
Mn1	Mn	0.00000	0.00000	0.00000	0.875	4	m_x,m_y,m_z	1.0(1)	2.9(1)	0.0	3.07

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
La1	La	0.52500	0.25000	0.00300	0.875	4
Ba1	Ba	0.52500	0.25000	0.00300	0.125	4
Ti1	Ti	0.00000	0.00000	0.00000	0.125	4
O1	O	0.99600	0.25000	0.93500	1.	4
O2	O	0.27700	0.03600	0.22600	1.	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	1.00000	2.90000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	-1.00000	2.90000
3	0.50000	0.50000	0.50000	-m_x,m_y,m_z	-1.00000	2.90000
4	0.50000	0.00000	0.50000	m_x,m_y,-m_z	1.00000	2.90000

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	0.875	4	m_x,m_y,m_z	1.0(1)	2.9(1)	0.0	3.07

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	1.00000	2.90000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	-1.00000	2.90000
3	0.50000	0.50000	0.50000	-m_x,m_y,m_z	-1.00000	2.90000
4	0.50000	0.00000	0.50000	m_x,m_y,-m_z	1.00000	2.90000

label	dim. small irrep	dim. full irrep	action	number of modes
mGM4+	1	1	primary	3

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