MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the setting of the parent structure (a_p,b_p,c_p) to the working setting (a,b,c):

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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	{ 2₁₀₀ \| 0 }
3	-x,y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
4	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	-x,y,z,+1	{ m₁₀₀ \| 0 }
7	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
8	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
(1/2,1/2,0) + set click here to show and hide
9	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
10	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
11	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
12	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
13	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
14	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
15	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
16	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }

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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):

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Symmetry operations of the magnetic point group in the setting used:

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.00000	0.00000	0.00000	4	m_x,0,0	0.64(10)	0.0	0.0	0.64

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cr1	Cr	0.00000	0.35000	0.25000	4
O1	O	0.00000	0.23900	0.03600	8
O2	O	0.26800	0.46900	0.25000	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,0	0.64000	0.00000	0.00000
2	0.00000	0.00000	0.50000	-m_x,0,0	-0.64000	0.00000	0.00000
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3	0.50000	0.50000	0.00000	m_x,0,0	0.64000	0.00000	0.00000
4	0.50000	0.50000	0.50000	-m_x,0,0	-0.64000	0.00000	0.00000

Atom	x	y	z
1	0.00000	0.35000	0.25000
2	0.00000	0.65000	0.75000
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3	0.50000	0.85000	0.25000
4	0.50000	0.15000	0.75000

Atom	x	y	z
1	0.00000	0.23900	0.03600
2	0.00000	0.76100	0.96400
3	0.00000	0.23900	0.46400
4	0.00000	0.76100	0.53600
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.73900	0.03600
6	0.50000	0.26100	0.96400
7	0.50000	0.73900	0.46400
8	0.50000	0.26100	0.53600

Atom	x	y	z
1	0.26800	0.46900	0.25000
2	0.26800	0.53100	0.75000
3	0.73200	0.46900	0.25000
4	0.73200	0.53100	0.75000
(1/2,1/2,0) + set click here to show and hide
5	0.76800	0.96900	0.25000
6	0.76800	0.03100	0.75000
7	0.23200	0.96900	0.25000
8	0.23200	0.03100	0.75000

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.00000	0.00000	0.00000	4	m_x,0,0	0.64(10)	0.0	0.0	0.64

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,0	0.64000	0.00000	0.00000
2	0.00000	0.00000	0.50000	-m_x,0,0	-0.64000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.00000	m_x,0,0	0.64000	0.00000	0.00000
4	0.50000	0.50000	0.50000	-m_x,0,0	-0.64000	0.00000	0.00000

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

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