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_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.496(1)	0.5632(7)	0.7530(2)	2	m_x,m_y,m_z	1.77(4)	2.27(3)	2.19(4)	3.62
Mn1_2	Mn	0.0040	0.0632	0.7470	2	m_x,m_y,m_z	-1.77	-2.27	-2.19	3.62
Fe1_1	Fe	0.50000	0.00000	0.50000	1	m_x,m_y,m_z	3.19(6)	-0.56(5)	3.24(7)	4.58
Fe1_2	Fe	0.00000	0.50000	0.00000	1	m_x,m_y,m_z	3.19	0.56	3.24	4.58
Re1_1	Re	0.50000	0.00000	0.00000	1	m_x,m_y,m_z	-0.56(4)	-0.10(1)	-0.57(4)	0.81
Re1_2	Re	0.00000	0.50000	0.50000	1	m_x,m_y,m_z	-0.56	0.1	-0.57	0.81

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.319(1)	0.285(8)	0.9294(1)	2
O1_2	O	0.1810	0.7850	0.5706	2
O2_1	O	0.323(1)	0.3325(9)	0.5638(9)	2
O2_2	O	0.177	0.8325	0.9362	2
O3_1	O	0.8738(6)	0.4391(6)	0.7709(7)	2
O3_2	O	0.6262	0.9391	0.7291	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.49600	0.56320	0.75300	m_x,m_y,m_z	1.77000	2.27000	2.19000
2	0.50400	0.43680	0.24700	m_x,m_y,m_z	1.77000	2.27000	2.19000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00400	0.06320	0.74700	m_x,m_y,m_z	-1.77000	-2.27000	-2.19000
2	0.99600	0.93680	0.25300	m_x,m_y,m_z	-1.77000	-2.27000	-2.19000

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	-0.56000	3.24000

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	0.56000	3.24000

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	-0.56000	-0.10000	-0.57000

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	-0.56000	0.10000	-0.57000

Atom	x	y	z
1	0.31900	0.28500	0.92940
2	0.68100	0.71500	0.07060

Atom	x	y	z
1	0.18100	0.78500	0.57060
2	0.81900	0.21500	0.42940

Atom	x	y	z
1	0.32300	0.33250	0.56380
2	0.67700	0.66750	0.43620

Atom	x	y	z
1	0.17700	0.83250	0.93620
2	0.82300	0.16750	0.06380

Atom	x	y	z
1	0.87380	0.43910	0.77090
2	0.12620	0.56090	0.22910

Atom	x	y	z
1	0.62620	0.93910	0.72910
2	0.37380	0.06090	0.27090

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

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.496(1)	0.5632(7)	0.7530(2)	2	m_x,m_y,m_z	1.77(4)	2.27(3)	2.19(4)	3.62
Mn1_2	Mn	0.0040	0.0632	0.7470	2	m_x,m_y,m_z	-1.77	-2.27	-2.19	3.62
Fe1_1	Fe	0.50000	0.00000	0.50000	1	m_x,m_y,m_z	3.19(6)	-0.56(5)	3.24(7)	4.58
Fe1_2	Fe	0.00000	0.50000	0.00000	1	m_x,m_y,m_z	3.19	0.56	3.24	4.58
Re1_1	Re	0.50000	0.00000	0.00000	1	m_x,m_y,m_z	-0.56(4)	-0.10(1)	-0.57(4)	0.81
Re1_2	Re	0.00000	0.50000	0.50000	1	m_x,m_y,m_z	-0.56	0.1	-0.57	0.81

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.49600	0.56320	0.75300	m_x,m_y,m_z	1.77000	2.27000	2.19000
2	0.50400	0.43680	0.24700	m_x,m_y,m_z	1.77000	2.27000	2.19000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00400	0.06320	0.74700	m_x,m_y,m_z	-1.77000	-2.27000	-2.19000
2	0.99600	0.93680	0.25300	m_x,m_y,m_z	-1.77000	-2.27000	-2.19000

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	-0.56000	3.24000

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	0.56000	3.24000

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	-0.56000	-0.10000	-0.57000

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	-0.56000	0.10000	-0.57000

[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 (#0.545)

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

Mn2FeReO6 (#0.545)

Mn₂FeReO₆ (#0.545)