MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the parent setting (a_p,b_p,c_p) to the standard setting of the parent space group (a_pst,b_pst,c_pst):

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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	0.50000	0.66391(6)	0.88159(8)	4	0,m_y,m_z	0.0	-3.38(1)	-0.33(2)	3.40

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.50000	0.50000	0.5111(2)	2
Se1	Se	0.50000	0.79209(6)	0.75776(9)	4
O1	O	0.00000	0.50000	0.7380(1)	2

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.50000	0.66391	0.88159	0,m_y,m_z	-3.38000	-0.33000
2	0.00000	0.83609	0.11841	0,-m_y,-m_z	3.38000	0.33000
3	0.00000	0.16391	0.11841	0,m_y,-m_z	-3.38000	0.33000
4	0.50000	0.33609	0.88159	0,-m_y,m_z	3.38000	-0.33000

Atom	x	y	z
1	0.50000	0.50000	0.51110
2	0.00000	0.00000	0.48890

Atom	x	y	z
1	0.00000	0.50000	0.73800
2	0.50000	0.00000	0.26200

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.50000	0.66391(6)	0.88159(8)	4	0,m_y,m_z	0.0	-3.38(1)	-0.33(2)	3.40

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.50000	0.66391	0.88159	0,m_y,m_z	-3.38000	-0.33000
2	0.00000	0.83609	0.11841	0,-m_y,-m_z	3.38000	0.33000
3	0.00000	0.16391	0.11841	0,m_y,-m_z	-3.38000	0.33000
4	0.50000	0.33609	0.88159	0,-m_y,m_z	3.38000	-0.33000

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1-	1	1	primary	2

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