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	0.4802(9)	0.5645(7)	0.759(2)	2	m_x,m_y,m_z	0.56(5)	0.56
Mn1_2	Mn	0.0198	0.0645	0.741	2	m_x,m_y,m_z	-0.56	0.56
Fe1_1	Fe	0.50000	0.00000	0.50000	1	m_x,m_y,m_z	4.02(6)	4.02
Fe1_2	Fe	0.00000	0.50000	0.00000	1	m_x,m_y,m_z	4.02	4.02
Re1_1	Re	0.50000	0.00000	0.00000	1	m_x,m_y,m_z	-0.59(6)	0.59
Re1_2	Re	0.00000	0.50000	0.50000	1	m_x,m_y,m_z	-0.59	0.59

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.320(2)	0.292(1)	0.933(8)	2
O1_2	O	0.180	0.792	0.567	2
O2_1	O	0.323(2)	0.331(1)	0.564(1)	2
O2_2	O	0.177	0.831	0.936	2
O3_1	O	0.8712(5)	0.4430(5)	0.7752(6)	2
O3_2	O	0.6288	0.9430	0.7248	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.48020	0.56450	0.75900	m_x,m_y,m_z	0.00000	0.00000	0.56000
2	0.51980	0.43550	0.24100	m_x,m_y,m_z	0.00000	0.00000	0.56000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.01980	0.06450	0.74100	m_x,m_y,m_z	0.00000	0.00000	-0.56000
2	0.98020	0.93550	0.25900	m_x,m_y,m_z	0.00000	0.00000	-0.56000

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	4.02000

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	4.02000

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	-0.59000

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	-0.59000

Atom	x	y	z
1	0.32000	0.29200	0.93300
2	0.68000	0.70800	0.06700

Atom	x	y	z
1	0.18000	0.79200	0.56700
2	0.82000	0.20800	0.43300

Atom	x	y	z
1	0.32300	0.33100	0.56400
2	0.67700	0.66900	0.43600

Atom	x	y	z
1	0.17700	0.83100	0.93600
2	0.82300	0.16900	0.06400

Atom	x	y	z
1	0.87120	0.44300	0.77520
2	0.12880	0.55700	0.22480

Atom	x	y	z
1	0.62880	0.94300	0.72480
2	0.37120	0.05700	0.27520

[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	0.4802(9)	0.5645(7)	0.759(2)	2	m_x,m_y,m_z	0.56(5)	0.56
Mn1_2	Mn	0.0198	0.0645	0.741	2	m_x,m_y,m_z	-0.56	0.56
Fe1_1	Fe	0.50000	0.00000	0.50000	1	m_x,m_y,m_z	4.02(6)	4.02
Fe1_2	Fe	0.00000	0.50000	0.00000	1	m_x,m_y,m_z	4.02	4.02
Re1_1	Re	0.50000	0.00000	0.00000	1	m_x,m_y,m_z	-0.59(6)	0.59
Re1_2	Re	0.00000	0.50000	0.50000	1	m_x,m_y,m_z	-0.59	0.59

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.48020	0.56450	0.75900	m_x,m_y,m_z	0.00000	0.00000	0.56000
2	0.51980	0.43550	0.24100	m_x,m_y,m_z	0.00000	0.00000	0.56000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.01980	0.06450	0.74100	m_x,m_y,m_z	0.00000	0.00000	-0.56000
2	0.98020	0.93550	0.25900	m_x,m_y,m_z	0.00000	0.00000	-0.56000

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	4.02000

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	4.02000

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	-0.59000

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	-0.59000

[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 (#0.542)

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

Mn2FeReO6 (#0.542)

Mn₂FeReO₆ (#0.542)