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+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
3	x+1/2,-y,-z+1/2,+1	{ 2₁₀₀ \| 1/2 0 1/2 }
4	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
7	-x+1/2,y,z+1/2,+1	{ m₁₀₀ \| 1/2 0 1/2 }
8	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 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+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
11	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
12	-x,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 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+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }
15	-x,y,z,-1	{ m'₁₀₀ \| 0 }
16	x,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 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	2₀₁₀
3	x,-y,-z,+1	2₁₀₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	x,-y,z,+1	m₀₁₀
7	-x,y,z,+1	m₁₀₀
8	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,y,-z,-1	2'₀₁₀
11	x,-y,-z,-1	2'₁₀₀
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	x,-y,z,-1	m'₀₁₀
15	-x,y,z,-1	m'₁₀₀
16	x,y,-z,-1	m'₀₀₁

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.00000	0.00000	0.00000	0.9991	4	0,m_y,m_z	0.0	0.42(1)	0.0	0.42

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
La1	La	0.00000	0.99328	0.36145	1.0001	8
O1	O	0.25000	0.25000	0.99281	1.0016	8
O2	O	0.00000	0.03406	0.18367	0.9925	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,m_z	0.00000	0.42000	0.00000
2	0.00000	0.50000	0.50000	0,m_y,-m_z	0.00000	0.42000	0.00000
(1/2,0,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.50000	0,-m_y,-m_z	0.00000	-0.42000	0.00000
4	0.50000	0.50000	0.00000	0,-m_y,m_z	0.00000	-0.42000	0.00000

Atom	x	y	z
1	0.00000	0.99328	0.36145
2	0.00000	0.49328	0.13855
3	0.50000	0.00672	0.13855
4	0.50000	0.50672	0.36145
(1/2,0,1/2)' + set click here to show and hide
5	0.50000	0.99328	0.86145
6	0.50000	0.49328	0.63855
7	0.00000	0.00672	0.63855
8	0.00000	0.50672	0.86145

Atom	x	y	z
1	0.25000	0.25000	0.99281
2	0.75000	0.75000	0.50719
3	0.75000	0.75000	0.00719
4	0.25000	0.25000	0.49281
(1/2,0,1/2)' + set click here to show and hide
5	0.75000	0.25000	0.49281
6	0.25000	0.75000	0.00719
7	0.25000	0.75000	0.50719
8	0.75000	0.25000	0.99281

Atom	x	y	z
1	0.00000	0.03406	0.18367
2	0.00000	0.53406	0.31633
3	0.50000	0.96594	0.31633
4	0.50000	0.46594	0.18367
(1/2,0,1/2)' + set click here to show and hide
5	0.50000	0.03406	0.68367
6	0.50000	0.53406	0.81633
7	0.00000	0.96594	0.81633
8	0.00000	0.46594	0.68367

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.00000	0.00000	0.00000	0.9991	4	0,m_y,m_z	0.0	0.42(1)	0.0	0.42

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,m_z	0.00000	0.42000	0.00000
2	0.00000	0.50000	0.50000	0,m_y,-m_z	0.00000	0.42000	0.00000
(1/2,0,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.50000	0,-m_y,-m_z	0.00000	-0.42000	0.00000
4	0.50000	0.50000	0.00000	0,-m_y,m_z	0.00000	-0.42000	0.00000

label	dim. small irrep	dim. full irrep	action	number of modes
mY4+	1	1	primary	2

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