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):

a	b	c
1	0	-1	a_p
0	1	0	b_p
0	0	1	c_p

origin shift
0	a_p
0	b_p
0	c_p

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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):

a	b	c
1	0	0	a_p
0	1	0	b_p
0	0	1	c_p

origin shift
0	a_p
0	b_p
0	c_p

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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,-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):

a_s	b_s	c_s
1	0	0	a
0	1	0	b
0	0	1	c

origin shift
0	a
0	b
0	c

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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

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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_1	Mn	0.99040	0.05300	0.24020	1.	2	m_x,m_y,m_z	1.16(14)	-1.46(11)	1.07(17)	2.15
Mn1_2	Mn	0.50960	0.55300	0.25980	1.	2	m_x,m_y,m_z	-1.16	1.46	-1.07	2.15
Fe1_1	Fe	0.50000	0.00000	0.50000	0.9446	1	m_x,m_y,m_z	3.27(5)	0.0	3.27	4.63
Fe1_2	Fe	0.00000	0.50000	0.00000	0.9446	1	m_x,m_y,m_z	3.27	0.0	3.27	4.63
Re2_1	Re	0.50000	0.00000	0.00000	0.9446	1	m_x,m_y,m_z	-0.145(2)	0.0	-0.145	0.21
Re2_2	Re	0.00000	0.50000	0.50000	0.9446	1	m_x,m_y,m_z	-0.145	0.0	-0.145	0.21

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Re1_1	Re	0.50000	0.00000	0.50000	0.0554	1
Re1_2	Re	0.00000	0.50000	0.00000	0.0554	1
Fe2_1	Fe	0.50000	0.00000	0.00000	0.0554	1
Fe2_2	Fe	0.00000	0.50000	0.50000	0.0554	1
O1_1	O	0.19260	0.19190	0.93330	1.	2
O1_2	O	0.30740	0.69190	0.56670	1.	2
O2_1	O	0.17360	0.18650	0.56020	1.	2
O2_2	O	0.32640	0.68650	0.93980	1.	2
O3_1	O	0.38000	0.94200	0.24890	1.	2
O3_2	O	0.12000	0.44200	0.25110	1.	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.99040	0.05300	0.24020	m_x,m_y,m_z	1.16000	-1.46000	1.07000
2	0.00960	0.94700	0.75980	m_x,m_y,m_z	1.16000	-1.46000	1.07000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50960	0.55300	0.25980	m_x,m_y,m_z	-1.16000	1.46000	-1.07000
2	0.49040	0.44700	0.74020	m_x,m_y,m_z	-1.16000	1.46000	-1.07000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.50000	m_x,m_y,m_z	3.27000	0.00000	3.27000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,m_y,m_z	3.27000	0.00000	3.27000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	-0.14500	0.00000	-0.14500

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.50000	m_x,m_y,m_z	-0.14500	0.00000	-0.14500

Atom	x	y	z
1	0.50000	0.00000	0.50000

Atom	x	y	z
1	0.00000	0.50000	0.00000

Atom	x	y	z
1	0.50000	0.00000	0.00000

Atom	x	y	z
1	0.00000	0.50000	0.50000

Atom	x	y	z
1	0.19260	0.19190	0.93330
2	0.80740	0.80810	0.06670

Atom	x	y	z
1	0.30740	0.69190	0.56670
2	0.69260	0.30810	0.43330

Atom	x	y	z
1	0.17360	0.18650	0.56020
2	0.82640	0.81350	0.43980

Atom	x	y	z
1	0.32640	0.68650	0.93980
2	0.67360	0.31350	0.06020

Atom	x	y	z
1	0.38000	0.94200	0.24890
2	0.62000	0.05800	0.75110

Atom	x	y	z
1	0.12000	0.44200	0.25110
2	0.88000	0.55800	0.74890

[Show all atoms in unit cell and their moment relations]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.99040	0.05300	0.24020	1.	2	m_x,m_y,m_z	1.16(14)	-1.46(11)	1.07(17)	2.15
Mn1_2	Mn	0.50960	0.55300	0.25980	1.	2	m_x,m_y,m_z	-1.16	1.46	-1.07	2.15
Fe1_1	Fe	0.50000	0.00000	0.50000	0.9446	1	m_x,m_y,m_z	3.27(5)	0.0	3.27	4.63
Fe1_2	Fe	0.00000	0.50000	0.00000	0.9446	1	m_x,m_y,m_z	3.27	0.0	3.27	4.63
Re2_1	Re	0.50000	0.00000	0.00000	0.9446	1	m_x,m_y,m_z	-0.145(2)	0.0	-0.145	0.21
Re2_2	Re	0.00000	0.50000	0.50000	0.9446	1	m_x,m_y,m_z	-0.145	0.0	-0.145	0.21

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.99040	0.05300	0.24020	m_x,m_y,m_z	1.16000	-1.46000	1.07000
2	0.00960	0.94700	0.75980	m_x,m_y,m_z	1.16000	-1.46000	1.07000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50960	0.55300	0.25980	m_x,m_y,m_z	-1.16000	1.46000	-1.07000
2	0.49040	0.44700	0.74020	m_x,m_y,m_z	-1.16000	1.46000	-1.07000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.50000	m_x,m_y,m_z	3.27000	0.00000	3.27000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,m_y,m_z	3.27000	0.00000	3.27000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	-0.14500	0.00000	-0.14500

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.50000	m_x,m_y,m_z	-0.14500	0.00000	-0.14500

[Show all magnetic atoms in unit cell and their moment relations]

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	9
mGM1+	1	1	primary	9

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

Mn₂FeReO₆ (#0.548)

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

Mn2FeReO6 (#0.548)

Mn₂FeReO₆ (#0.548)