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	y+3/4,x+1/4,-z+3/4,+1	{ 2₁₁₀ \| 3/4 1/4 3/4 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-y+1/4,-x+3/4,z+1/4,+1	{ m₁₁₀ \| 1/4 3/4 1/4 }
5	-y+1/4,-x+1/4,-z+3/4,-1	{ 2'_1-10 \| 1/4 1/4 3/4 }
6	-x,-y+1/2,z,-1	{ 2'₀₀₁ \| 0 1/2 0 }
7	y+3/4,x+3/4,z+1/4,-1	{ m'_1-10 \| 3/4 3/4 1/4 }
8	x,y+1/2,-z,-1	{ m'₀₀₁ \| 0 1/2 0 }
(1/2,1/2,1/2) + set click here to show and hide
9	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
10	y+1/4,x+3/4,-z+1/4,+1	{ 2₁₁₀ \| 1/4 3/4 1/4 }
11	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
12	-y+3/4,-x+1/4,z+3/4,+1	{ m₁₁₀ \| 3/4 1/4 3/4 }
13	-y+3/4,-x+3/4,-z+1/4,-1	{ 2'_1-10 \| 3/4 3/4 1/4 }
14	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
15	y+1/4,x+1/4,z+3/4,-1	{ m'_1-10 \| 1/4 1/4 3/4 }
16	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 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	0.25000	0.37500	4	m_x,m_x,0	1.16	1.16	0.0	1.64
Cr1	Cr	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	-0.99	-0.99	0.0	1.40

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1	O	0.00000	0.98210	0.23370	16

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.37500	m_x,m_x,0	1.16000	1.16000	0.00000
2	0.00000	0.75000	0.62500	m_x,m_x,0	1.16000	1.16000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.75000	0.87500	m_x,m_x,0	1.16000	1.16000	0.00000
4	0.50000	0.25000	0.12500	m_x,m_x,0	1.16000	1.16000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	-0.99000	-0.99000	0.00000
2	0.75000	0.25000	0.75000	m_y,m_x,-m_z	-0.99000	-0.99000	0.00000
3	0.25000	0.25000	0.75000	m_y,m_x,m_z	-0.99000	-0.99000	0.00000
4	0.00000	0.50000	0.00000	m_x,m_y,-m_z	-0.99000	-0.99000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.50000	0.50000	m_x,m_y,m_z	-0.99000	-0.99000	0.00000
6	0.25000	0.75000	0.25000	m_y,m_x,-m_z	-0.99000	-0.99000	0.00000
7	0.75000	0.75000	0.25000	m_y,m_x,m_z	-0.99000	-0.99000	0.00000
8	0.50000	0.00000	0.50000	m_x,m_y,-m_z	-0.99000	-0.99000	0.00000

Atom	x	y	z
1	0.00000	0.98210	0.23370
2	0.73210	0.25000	0.51630
3	0.00000	0.01790	0.76630
4	0.26790	0.75000	0.48370
5	0.26790	0.25000	0.51630
6	0.00000	0.51790	0.23370
7	0.73210	0.75000	0.48370
8	0.00000	0.48210	0.76630
(1/2,1/2,1/2) + set click here to show and hide
9	0.50000	0.48210	0.73370
10	0.23210	0.75000	0.01630
11	0.50000	0.51790	0.26630
12	0.76790	0.25000	0.98370
13	0.76790	0.75000	0.01630
14	0.50000	0.01790	0.73370
15	0.23210	0.25000	0.98370
16	0.50000	0.98210	0.26630

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.00000	0.25000	0.37500	4	m_x,m_x,0	1.16	1.16	0.0	1.64
Cr1	Cr	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	-0.99	-0.99	0.0	1.40

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.37500	m_x,m_x,0	1.16000	1.16000	0.00000
2	0.00000	0.75000	0.62500	m_x,m_x,0	1.16000	1.16000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.75000	0.87500	m_x,m_x,0	1.16000	1.16000	0.00000
4	0.50000	0.25000	0.12500	m_x,m_x,0	1.16000	1.16000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	-0.99000	-0.99000	0.00000
2	0.75000	0.25000	0.75000	m_y,m_x,-m_z	-0.99000	-0.99000	0.00000
3	0.25000	0.25000	0.75000	m_y,m_x,m_z	-0.99000	-0.99000	0.00000
4	0.00000	0.50000	0.00000	m_x,m_y,-m_z	-0.99000	-0.99000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.50000	0.50000	m_x,m_y,m_z	-0.99000	-0.99000	0.00000
6	0.25000	0.75000	0.25000	m_y,m_x,-m_z	-0.99000	-0.99000	0.00000
7	0.75000	0.75000	0.25000	m_y,m_x,m_z	-0.99000	-0.99000	0.00000
8	0.50000	0.00000	0.50000	m_x,m_y,-m_z	-0.99000	-0.99000	0.00000

label	dim. full irrep	dim. small irrep	direction	action
mGM5+	2	2	special	primary

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