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	0.495(1)	0.5614(8)	0.749(2)	2	m_x,m_y,m_z	1.50(4)	1.26(5)	1.96(4)	2.77
Mn1_2	Mn	0.005	0.0614	0.751	2	m_x,m_y,m_z	-1.5	-1.26	-1.96	2.77
Fe1_1	Fe	0.50000	0.00000	0.50000	1	m_x,m_y,m_z	2.54(8)	-0.71(8)	3.71(7)	4.55
Fe1_2	Fe	0.00000	0.50000	0.00000	1	m_x,m_y,m_z	2.54	0.71	3.71	4.55
Re1_1	Re	0.50000	0.00000	0.00000	1	m_x,m_y,m_z	-0.44(3)	-0.13(2)	-0.65(5)	0.80
Re1_2	Re	0.00000	0.50000	0.50000	1	m_x,m_y,m_z	-0.44	0.13	-0.65	0.80

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.318(2)	0.292(1)	0.9309(8)	2
O1_2	O	0.182	0.792	0.5691	2
O2_1	O	0.325(2)	0.330(1)	0.5656(9)	2
O2_2	O	0.175	0.830	0.9344	2
O3_1	O	0.8716(6)	0.4430(6)	0.7736(7)	2
O3_2	O	0.6284	0.9430	0.7264	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.49500	0.56140	0.74900	m_x,m_y,m_z	1.50000	1.26000	1.96000
2	0.50500	0.43860	0.25100	m_x,m_y,m_z	1.50000	1.26000	1.96000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00500	0.06140	0.75100	m_x,m_y,m_z	-1.50000	-1.26000	-1.96000
2	0.99500	0.93860	0.24900	m_x,m_y,m_z	-1.50000	-1.26000	-1.96000

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	2.54000	-0.71000	3.71000

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	2.54000	0.71000	3.71000

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	-0.44000	-0.13000	-0.65000

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	-0.44000	0.13000	-0.65000

Atom	x	y	z
1	0.31800	0.29200	0.93090
2	0.68200	0.70800	0.06910

Atom	x	y	z
1	0.18200	0.79200	0.56910
2	0.81800	0.20800	0.43090

Atom	x	y	z
1	0.32500	0.33000	0.56560
2	0.67500	0.67000	0.43440

Atom	x	y	z
1	0.17500	0.83000	0.93440
2	0.82500	0.17000	0.06560

Atom	x	y	z
1	0.87160	0.44300	0.77360
2	0.12840	0.55700	0.22640

Atom	x	y	z
1	0.62840	0.94300	0.72640
2	0.37160	0.05700	0.27360

[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	0.495(1)	0.5614(8)	0.749(2)	2	m_x,m_y,m_z	1.50(4)	1.26(5)	1.96(4)	2.77
Mn1_2	Mn	0.005	0.0614	0.751	2	m_x,m_y,m_z	-1.5	-1.26	-1.96	2.77
Fe1_1	Fe	0.50000	0.00000	0.50000	1	m_x,m_y,m_z	2.54(8)	-0.71(8)	3.71(7)	4.55
Fe1_2	Fe	0.00000	0.50000	0.00000	1	m_x,m_y,m_z	2.54	0.71	3.71	4.55
Re1_1	Re	0.50000	0.00000	0.00000	1	m_x,m_y,m_z	-0.44(3)	-0.13(2)	-0.65(5)	0.80
Re1_2	Re	0.00000	0.50000	0.50000	1	m_x,m_y,m_z	-0.44	0.13	-0.65	0.80

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.49500	0.56140	0.74900	m_x,m_y,m_z	1.50000	1.26000	1.96000
2	0.50500	0.43860	0.25100	m_x,m_y,m_z	1.50000	1.26000	1.96000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00500	0.06140	0.75100	m_x,m_y,m_z	-1.50000	-1.26000	-1.96000
2	0.99500	0.93860	0.24900	m_x,m_y,m_z	-1.50000	-1.26000	-1.96000

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	2.54000	-0.71000	3.71000

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	2.54000	0.71000	3.71000

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	-0.44000	-0.13000	-0.65000

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	-0.44000	0.13000	-0.65000

[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 (#0.544)

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

Mn2FeReO6 (#0.544)

Mn₂FeReO₆ (#0.544)