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	0.13570	0.09600	0.65115	3	m_x,m_y,m_z	-1.39	1.66	-0.09	2.65
Fe2	Fe	0.56907	0.19637	0.35469	3	m_x,m_y,m_z	2.7	0.11	-0.09	2.65
Fe3	Fe	0.59807	0.72135	0.27034	3	m_x,m_y,m_z	1.24	3.04	-0.09	2.65
Fe4	Fe	0.26412	0.20036	0.05906	3	m_x,m_y,m_z	3.01	1.05	-0.09	2.65
Fe5	Fe	0.26001	0.51969	0.36734	3	m_x,m_y,m_z	-2.87	-2.34	-0.09	2.65
Fe6	Fe	0.48567	0.07134	0.95617	3	m_x,m_y,m_z	-0.32	2.47	-0.11	2.65

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Se1	Se	0.11136	0.22202	0.34710	3
Se2	Se	0.43767	0.21098	0.66007	3
Se3	Se	0.45307	0.89333	0.31850	3
O1	O	0.10985	0.20274	0.87370	3
O2	O	0.46773	0.22472	0.12890	3
O3	O	0.46271	0.59232	0.49140	3

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.13570	0.09600	0.65115	m_x,m_y,m_z	-1.39000	1.66000	-0.09000
2	0.90400	0.03970	0.98448	-m_y,m_x-m_y,m_z	-1.66000	-3.05000	-0.09000
3	0.96030	0.86430	0.31782	-m_x+m_y,-m_x,m_z	3.05000	1.39000	-0.09000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.56907	0.19637	0.35469	m_x,m_y,m_z	2.70000	0.11000	-0.09000
2	0.80363	0.37270	0.68802	-m_y,m_x-m_y,m_z	-0.11000	2.59000	-0.09000
3	0.62730	0.43093	0.02136	-m_x+m_y,-m_x,m_z	-2.59000	-2.70000	-0.09000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.59807	0.72135	0.27034	m_x,m_y,m_z	1.24000	3.04000	-0.09000
2	0.27865	0.87672	0.60367	-m_y,m_x-m_y,m_z	-3.04000	-1.80000	-0.09000
3	0.12328	0.40193	0.93701	-m_x+m_y,-m_x,m_z	1.80000	-1.24000	-0.09000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.26412	0.20036	0.05906	m_x,m_y,m_z	3.01000	1.05000	-0.09000
2	0.79964	0.06376	0.39239	-m_y,m_x-m_y,m_z	-1.05000	1.96000	-0.09000
3	0.93624	0.73588	0.72573	-m_x+m_y,-m_x,m_z	-1.96000	-3.01000	-0.09000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.26001	0.51969	0.36734	m_x,m_y,m_z	-2.87000	-2.34000	-0.09000
2	0.48031	0.74032	0.70067	-m_y,m_x-m_y,m_z	2.34000	-0.53000	-0.09000
3	0.25968	0.73999	0.03401	-m_x+m_y,-m_x,m_z	0.53000	2.87000	-0.09000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.48567	0.07134	0.95617	m_x,m_y,m_z	-0.32000	2.47000	-0.11000
2	0.92866	0.41433	0.28950	-m_y,m_x-m_y,m_z	-2.47000	-2.79000	-0.11000
3	0.58567	0.51433	0.62284	-m_x+m_y,-m_x,m_z	2.79000	0.32000	-0.11000

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.13570	0.09600	0.65115	3	m_x,m_y,m_z	-1.39	1.66	-0.09	2.65
Fe2	Fe	0.56907	0.19637	0.35469	3	m_x,m_y,m_z	2.7	0.11	-0.09	2.65
Fe3	Fe	0.59807	0.72135	0.27034	3	m_x,m_y,m_z	1.24	3.04	-0.09	2.65
Fe4	Fe	0.26412	0.20036	0.05906	3	m_x,m_y,m_z	3.01	1.05	-0.09	2.65
Fe5	Fe	0.26001	0.51969	0.36734	3	m_x,m_y,m_z	-2.87	-2.34	-0.09	2.65
Fe6	Fe	0.48567	0.07134	0.95617	3	m_x,m_y,m_z	-0.32	2.47	-0.11	2.65

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.13570	0.09600	0.65115	m_x,m_y,m_z	-1.39000	1.66000	-0.09000
2	0.90400	0.03970	0.98448	-m_y,m_x-m_y,m_z	-1.66000	-3.05000	-0.09000
3	0.96030	0.86430	0.31782	-m_x+m_y,-m_x,m_z	3.05000	1.39000	-0.09000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.56907	0.19637	0.35469	m_x,m_y,m_z	2.70000	0.11000	-0.09000
2	0.80363	0.37270	0.68802	-m_y,m_x-m_y,m_z	-0.11000	2.59000	-0.09000
3	0.62730	0.43093	0.02136	-m_x+m_y,-m_x,m_z	-2.59000	-2.70000	-0.09000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.59807	0.72135	0.27034	m_x,m_y,m_z	1.24000	3.04000	-0.09000
2	0.27865	0.87672	0.60367	-m_y,m_x-m_y,m_z	-3.04000	-1.80000	-0.09000
3	0.12328	0.40193	0.93701	-m_x+m_y,-m_x,m_z	1.80000	-1.24000	-0.09000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.26412	0.20036	0.05906	m_x,m_y,m_z	3.01000	1.05000	-0.09000
2	0.79964	0.06376	0.39239	-m_y,m_x-m_y,m_z	-1.05000	1.96000	-0.09000
3	0.93624	0.73588	0.72573	-m_x+m_y,-m_x,m_z	-1.96000	-3.01000	-0.09000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.26001	0.51969	0.36734	m_x,m_y,m_z	-2.87000	-2.34000	-0.09000
2	0.48031	0.74032	0.70067	-m_y,m_x-m_y,m_z	2.34000	-0.53000	-0.09000
3	0.25968	0.73999	0.03401	-m_x+m_y,-m_x,m_z	0.53000	2.87000	-0.09000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.48567	0.07134	0.95617	m_x,m_y,m_z	-0.32000	2.47000	-0.11000
2	0.92866	0.41433	0.28950	-m_y,m_x-m_y,m_z	-2.47000	-2.79000	-0.11000
3	0.58567	0.51433	0.62284	-m_x+m_y,-m_x,m_z	2.79000	0.32000	-0.11000

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1	1	1	primary	18

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