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	0.98330	0.05840	0.22820	1.	2	m_x,m_y,m_z	2.05(11)	-2.91(7)	1.3(2)	3.79
Mn1_2	Mn	0.51670	0.55840	0.27180	1.	2	m_x,m_y,m_z	-2.05	2.91	-1.3	3.79
Fe1_1	Fe	0.50000	0.00000	0.50000	0.9446	1	m_x,m_y,m_z	3.19(7)	0.0	3.19	4.52
Fe1_2	Fe	0.00000	0.50000	0.00000	0.9446	1	m_x,m_y,m_z	3.19	0.0	3.19	4.52
Re2_1	Re	0.50000	0.00000	0.00000	0.9446	1	m_x,m_y,m_z	-0.143(3)	0.0	-0.143	0.20
Re2_2	Re	0.00000	0.50000	0.50000	0.9446	1	m_x,m_y,m_z	-0.143	0.0	-0.143	0.20

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	0.19300	0.19100	0.93100	1.	2
O1_2	O	0.30700	0.69100	0.56900	1.	2
O2_1	O	0.17500	0.18600	0.55980	1.	2
O2_2	O	0.32500	0.68600	0.94020	1.	2
O3_1	O	0.38080	0.94050	0.24800	1.	2
O3_2	O	0.11920	0.44050	0.25200	1.	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.98330	0.05840	0.22820	m_x,m_y,m_z	2.05000	-2.91000	1.30000
2	0.01670	0.94160	0.77180	m_x,m_y,m_z	2.05000	-2.91000	1.30000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.51670	0.55840	0.27180	m_x,m_y,m_z	-2.05000	2.91000	-1.30000
2	0.48330	0.44160	0.72820	m_x,m_y,m_z	-2.05000	2.91000	-1.30000

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	3.19000	0.00000	3.19000

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	3.19000	0.00000	3.19000

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	-0.14300	0.00000	-0.14300

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	-0.14300	0.00000	-0.14300

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	0.19300	0.19100	0.93100
2	0.80700	0.80900	0.06900

Atom	x	y	z
1	0.30700	0.69100	0.56900
2	0.69300	0.30900	0.43100

Atom	x	y	z
1	0.17500	0.18600	0.55980
2	0.82500	0.81400	0.44020

Atom	x	y	z
1	0.32500	0.68600	0.94020
2	0.67500	0.31400	0.05980

Atom	x	y	z
1	0.38080	0.94050	0.24800
2	0.61920	0.05950	0.75200

Atom	x	y	z
1	0.11920	0.44050	0.25200
2	0.88080	0.55950	0.74800

[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	0.98330	0.05840	0.22820	1.	2	m_x,m_y,m_z	2.05(11)	-2.91(7)	1.3(2)	3.79
Mn1_2	Mn	0.51670	0.55840	0.27180	1.	2	m_x,m_y,m_z	-2.05	2.91	-1.3	3.79
Fe1_1	Fe	0.50000	0.00000	0.50000	0.9446	1	m_x,m_y,m_z	3.19(7)	0.0	3.19	4.52
Fe1_2	Fe	0.00000	0.50000	0.00000	0.9446	1	m_x,m_y,m_z	3.19	0.0	3.19	4.52
Re2_1	Re	0.50000	0.00000	0.00000	0.9446	1	m_x,m_y,m_z	-0.143(3)	0.0	-0.143	0.20
Re2_2	Re	0.00000	0.50000	0.50000	0.9446	1	m_x,m_y,m_z	-0.143	0.0	-0.143	0.20

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.98330	0.05840	0.22820	m_x,m_y,m_z	2.05000	-2.91000	1.30000
2	0.01670	0.94160	0.77180	m_x,m_y,m_z	2.05000	-2.91000	1.30000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.51670	0.55840	0.27180	m_x,m_y,m_z	-2.05000	2.91000	-1.30000
2	0.48330	0.44160	0.72820	m_x,m_y,m_z	-2.05000	2.91000	-1.30000

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	3.19000	0.00000	3.19000

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	3.19000	0.00000	3.19000

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	-0.14300	0.00000	-0.14300

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	-0.14300	0.00000	-0.14300

[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 (#0.549)

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

Mn2FeReO6 (#0.549)

Mn₂FeReO₆ (#0.549)