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:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
(1/2,0,1/2) + set click here to show and hide
3	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
4	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
(0,0,1/2)' + set click here to show and hide
5	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
6	-x+1/2,-y,-z+1/2,-1	{ -1' \| 1/2 0 1/2 }
(1/2,0,0)' + set click here to show and hide
7	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
8	-x,-y,-z,-1	{ -1' \| 0 }

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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:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,-y,-z,-1	-1'

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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\|
Fe1	Fe	0.37500	0.25000	0.00175	0.995	8	m_x,m_y,m_z	-0.7(2)	2.0(7)	0.7(1)	2.23
Fe2	Fe	0.12500	0.25000	0.3406	0.068	8	m_x,m_y,m_z	0.0	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Te1	Te	0.12500	0.25000	0.1399	1.	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.37500	0.25000	0.00175	m_x,m_y,m_z	-0.70000	2.00000	0.70000
2	0.12500	0.75000	0.99825	m_x,m_y,m_z	-0.70000	2.00000	0.70000
(1/2,0,1/2) + set click here to show and hide
3	0.87500	0.25000	0.50175	m_x,m_y,m_z	-0.70000	2.00000	0.70000
4	0.62500	0.75000	0.49825	m_x,m_y,m_z	-0.70000	2.00000	0.70000
(0,0,1/2)' + set click here to show and hide
5	0.37500	0.25000	0.50175	-m_x,-m_y,-m_z	0.70000	-2.00000	-0.70000
6	0.12500	0.75000	0.49825	-m_x,-m_y,-m_z	0.70000	-2.00000	-0.70000
(1/2,0,0)' + set click here to show and hide
7	0.87500	0.25000	0.00175	-m_x,-m_y,-m_z	0.70000	-2.00000	-0.70000
8	0.62500	0.75000	0.99825	-m_x,-m_y,-m_z	0.70000	-2.00000	-0.70000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12500	0.25000	0.34060	m_x,m_y,m_z	0.00000	0.00000	0.00000
2	0.37500	0.75000	0.65940	m_x,m_y,m_z	0.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.62500	0.25000	0.84060	m_x,m_y,m_z	0.00000	0.00000	0.00000
4	0.87500	0.75000	0.15940	m_x,m_y,m_z	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.12500	0.25000	0.84060	-m_x,-m_y,-m_z	0.00000	0.00000	0.00000
6	0.37500	0.75000	0.15940	-m_x,-m_y,-m_z	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.62500	0.25000	0.34060	-m_x,-m_y,-m_z	0.00000	0.00000	0.00000
8	0.87500	0.75000	0.65940	-m_x,-m_y,-m_z	0.00000	0.00000	0.00000

Atom	x	y	z
1	0.12500	0.25000	0.13990
2	0.37500	0.75000	0.86010
(1/2,0,1/2) + set click here to show and hide
3	0.62500	0.25000	0.63990
4	0.87500	0.75000	0.36010
(0,0,1/2)' + set click here to show and hide
5	0.12500	0.25000	0.63990
6	0.37500	0.75000	0.36010
(1/2,0,0)' + set click here to show and hide
7	0.62500	0.25000	0.13990
8	0.87500	0.75000	0.86010

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.37500	0.25000	0.00175	0.995	8	m_x,m_y,m_z	-0.7(2)	2.0(7)	0.7(1)	2.23
Fe2	Fe	0.12500	0.25000	0.3406	0.068	8	m_x,m_y,m_z	0.0	0.0	0.0	0.00

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.37500	0.25000	0.00175	m_x,m_y,m_z	-0.70000	2.00000	0.70000
2	0.12500	0.75000	0.99825	m_x,m_y,m_z	-0.70000	2.00000	0.70000
(1/2,0,1/2) + set click here to show and hide
3	0.87500	0.25000	0.50175	m_x,m_y,m_z	-0.70000	2.00000	0.70000
4	0.62500	0.75000	0.49825	m_x,m_y,m_z	-0.70000	2.00000	0.70000
(0,0,1/2)' + set click here to show and hide
5	0.37500	0.25000	0.50175	-m_x,-m_y,-m_z	0.70000	-2.00000	-0.70000
6	0.12500	0.75000	0.49825	-m_x,-m_y,-m_z	0.70000	-2.00000	-0.70000
(1/2,0,0)' + set click here to show and hide
7	0.87500	0.25000	0.00175	-m_x,-m_y,-m_z	0.70000	-2.00000	-0.70000
8	0.62500	0.75000	0.99825	-m_x,-m_y,-m_z	0.70000	-2.00000	-0.70000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12500	0.25000	0.34060	m_x,m_y,m_z	0.00000	0.00000	0.00000
2	0.37500	0.75000	0.65940	m_x,m_y,m_z	0.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.62500	0.25000	0.84060	m_x,m_y,m_z	0.00000	0.00000	0.00000
4	0.87500	0.75000	0.15940	m_x,m_y,m_z	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.12500	0.25000	0.84060	-m_x,-m_y,-m_z	0.00000	0.00000	0.00000
6	0.37500	0.75000	0.15940	-m_x,-m_y,-m_z	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.62500	0.25000	0.34060	-m_x,-m_y,-m_z	0.00000	0.00000	0.00000
8	0.87500	0.75000	0.65940	-m_x,-m_y,-m_z	0.00000	0.00000	0.00000

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