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):

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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):

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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+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
4	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	-x,y,z,+1	{ m₁₀₀ \| 0 }
7	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
8	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
(1/2,0,1/2)' + set click here to show and hide
9	x+1/2,y,z+1/2,-1	{ 1' \| 1/2 0 1/2 }
10	x+1/2,-y,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 0 1/2 }
11	-x,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 0 1/2 1/2 }
12	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
13	-x+1/2,-y,-z+1/2,-1	{ -1' \| 1/2 0 1/2 }
14	-x+1/2,y,z+1/2,-1	{ m'₁₀₀ \| 1/2 0 1/2 }
15	x,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 0 1/2 1/2 }
16	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 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:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,-y,z,+1	2₀₀₁
4	-x,y,-z,+1	2₀₁₀
5	-x,-y,-z,+1	-1
6	-x,y,z,+1	m₁₀₀
7	x,y,-z,+1	m₀₀₁
8	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	x,-y,-z,-1	2'₁₀₀
11	-x,-y,z,-1	2'₀₀₁
12	-x,y,-z,-1	2'₀₁₀
13	-x,-y,-z,-1	-1'
14	-x,y,z,-1	m'₁₀₀
15	x,y,-z,-1	m'₀₀₁
16	x,-y,z,-1	m'₀₁₀

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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	1.6	0.0	0.0	1.60

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
La1	La	0.00000	-0.01020	0.36390	8
O1	O	0.25000	0.75000	0.01090	8
O2	O	0.00000	0.04170	0.17710	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	1.60000	0.00000	0.00000
2	0.50000	0.50000	0.00000	-m_x,0,0	-1.60000	0.00000	0.00000
(1/2,0,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.50000	-m_x,0,0	-1.60000	0.00000	0.00000
4	0.00000	0.50000	0.50000	m_x,0,0	1.60000	0.00000	0.00000

Atom	x	y	z
1	0.00000	0.98980	0.36390
2	0.00000	0.01020	0.63610
3	0.50000	0.51020	0.36390
4	0.50000	0.48980	0.63610
(1/2,0,1/2)' + set click here to show and hide
5	0.50000	0.98980	0.86390
6	0.50000	0.01020	0.13610
7	0.00000	0.51020	0.86390
8	0.00000	0.48980	0.13610

Atom	x	y	z
1	0.25000	0.75000	0.01090
2	0.25000	0.25000	0.98910
3	0.75000	0.25000	0.98910
4	0.75000	0.75000	0.01090
(1/2,0,1/2)' + set click here to show and hide
5	0.75000	0.75000	0.51090
6	0.75000	0.25000	0.48910
7	0.25000	0.25000	0.48910
8	0.25000	0.75000	0.51090

Atom	x	y	z
1	0.00000	0.04170	0.17710
2	0.00000	0.95830	0.82290
3	0.50000	0.45830	0.17710
4	0.50000	0.54170	0.82290
(1/2,0,1/2)' + set click here to show and hide
5	0.50000	0.04170	0.67710
6	0.50000	0.95830	0.32290
7	0.00000	0.45830	0.67710
8	0.00000	0.54170	0.32290

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	1.6	0.0	0.0	1.60

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	1.60000	0.00000	0.00000
2	0.50000	0.50000	0.00000	-m_x,0,0	-1.60000	0.00000	0.00000
(1/2,0,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.50000	-m_x,0,0	-1.60000	0.00000	0.00000
4	0.00000	0.50000	0.50000	m_x,0,0	1.60000	0.00000	0.00000

label	dim. small irrep	dim. full irrep	action
mY1+	1	1	primary

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