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	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Mn1_1	Mn	0.4845(9)	0.5627(8)	0.751(2)	2	m_x,m_y,m_z	1.10(3)	1.10
Mn1_2	Mn	0.0155	0.0627	0.7490	2	m_x,m_y,m_z	-1.1	1.10
Fe1_1	Fe	0.50000	0.00000	0.50000	1	m_x,m_y,m_z	4.11(6)	4.11
Fe1_2	Fe	0.00000	0.50000	0.00000	1	m_x,m_y,m_z	4.11	4.11
Re1_1	Re	0.50000	0.00000	0.00000	1	m_x,m_y,m_z	-0.86(6)	0.86
Re1_2	Re	0.00000	0.50000	0.50000	1	m_x,m_y,m_z	-0.86	0.86

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.318(2)	0.288(1)	0.9334(8)	2
O1_2	O	0.182	0.788	0.5666	2
O2_1	O	0.324(2)	0.3361(8)	0.5648(8)	2
O2_2	O	0.1760	0.8361	0.9352	2
O3_1	O	0.8707(6)	0.4446(6)	0.7782(6)	2
O3_2	O	0.6293	0.9446	0.7218	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.48450	0.56270	0.75100	m_x,m_y,m_z	0.00000	0.00000	1.10000
2	0.51550	0.43730	0.24900	m_x,m_y,m_z	0.00000	0.00000	1.10000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.01550	0.06270	0.74900	m_x,m_y,m_z	0.00000	0.00000	-1.10000
2	0.98450	0.93730	0.25100	m_x,m_y,m_z	0.00000	0.00000	-1.10000

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	0.00000	0.00000	4.11000

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	0.00000	0.00000	4.11000

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	0.00000	0.00000	-0.86000

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	0.00000	0.00000	-0.86000

Atom	x	y	z
1	0.31800	0.28800	0.93340
2	0.68200	0.71200	0.06660

Atom	x	y	z
1	0.18200	0.78800	0.56660
2	0.81800	0.21200	0.43340

Atom	x	y	z
1	0.32400	0.33610	0.56480
2	0.67600	0.66390	0.43520

Atom	x	y	z
1	0.17600	0.83610	0.93520
2	0.82400	0.16390	0.06480

Atom	x	y	z
1	0.87070	0.44460	0.77820
2	0.12930	0.55540	0.22180

Atom	x	y	z
1	0.62930	0.94460	0.72180
2	0.37070	0.05540	0.27820

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

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Mn1_1	Mn	0.4845(9)	0.5627(8)	0.751(2)	2	m_x,m_y,m_z	1.10(3)	1.10
Mn1_2	Mn	0.0155	0.0627	0.7490	2	m_x,m_y,m_z	-1.1	1.10
Fe1_1	Fe	0.50000	0.00000	0.50000	1	m_x,m_y,m_z	4.11(6)	4.11
Fe1_2	Fe	0.00000	0.50000	0.00000	1	m_x,m_y,m_z	4.11	4.11
Re1_1	Re	0.50000	0.00000	0.00000	1	m_x,m_y,m_z	-0.86(6)	0.86
Re1_2	Re	0.00000	0.50000	0.50000	1	m_x,m_y,m_z	-0.86	0.86

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.48450	0.56270	0.75100	m_x,m_y,m_z	0.00000	0.00000	1.10000
2	0.51550	0.43730	0.24900	m_x,m_y,m_z	0.00000	0.00000	1.10000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.01550	0.06270	0.74900	m_x,m_y,m_z	0.00000	0.00000	-1.10000
2	0.98450	0.93730	0.25100	m_x,m_y,m_z	0.00000	0.00000	-1.10000

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	0.00000	0.00000	4.11000

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	0.00000	0.00000	4.11000

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	0.00000	0.00000	-0.86000

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	0.00000	0.00000	-0.86000

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

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

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

Mn₂FeReO₆ (#0.543)

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

Mn2FeReO6 (#0.543)

Mn₂FeReO₆ (#0.543)