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

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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	-1
3	-x,y,-z,+1	2₀₁₀
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,-z,-1	-1'
7	-x,y,-z,-1	2'₀₁₀
8	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\|
Cu1	Cu2+	0.12500	0.25000	0.00000	16	m_x,m_y,m_z	0.0	0.65(3)	0.0	0.65

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1	O	0.00000	0.4188(3)	0.12500	16

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12500	0.25000	0.00000	m_x,m_y,m_z	0.00000	0.65000	0.00000
2	0.62500	0.75000	0.25000	-m_x,m_y,-m_z	0.00000	0.65000	0.00000
3	0.37500	0.75000	0.00000	m_x,m_y,m_z	0.00000	0.65000	0.00000
4	0.37500	0.25000	0.25000	-m_x,m_y,-m_z	0.00000	0.65000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.62500	0.25000	0.50000	m_x,m_y,m_z	0.00000	0.65000	0.00000
6	0.12500	0.75000	0.75000	-m_x,m_y,-m_z	0.00000	0.65000	0.00000
7	0.87500	0.75000	0.50000	m_x,m_y,m_z	0.00000	0.65000	0.00000
8	0.87500	0.25000	0.75000	-m_x,m_y,-m_z	0.00000	0.65000	0.00000
(1/2,0,0)' + set click here to show and hide
9	0.62500	0.25000	0.00000	-m_x,-m_y,-m_z	0.00000	-0.65000	0.00000
10	0.12500	0.75000	0.25000	m_x,-m_y,m_z	0.00000	-0.65000	0.00000
11	0.87500	0.75000	0.00000	-m_x,-m_y,-m_z	0.00000	-0.65000	0.00000
12	0.87500	0.25000	0.25000	m_x,-m_y,m_z	0.00000	-0.65000	0.00000
(0,0,1/2)' + set click here to show and hide
13	0.12500	0.25000	0.50000	-m_x,-m_y,-m_z	0.00000	-0.65000	0.00000
14	0.62500	0.75000	0.75000	m_x,-m_y,m_z	0.00000	-0.65000	0.00000
15	0.37500	0.75000	0.50000	-m_x,-m_y,-m_z	0.00000	-0.65000	0.00000
16	0.37500	0.25000	0.75000	m_x,-m_y,m_z	0.00000	-0.65000	0.00000

Atom	x	y	z
1	0.00000	0.41880	0.12500
2	0.75000	0.91880	0.12500
3	0.50000	0.58120	0.87500
4	0.25000	0.08120	0.37500
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.41880	0.62500
6	0.25000	0.91880	0.62500
7	0.00000	0.58120	0.37500
8	0.75000	0.08120	0.87500
(1/2,0,0)' + set click here to show and hide
9	0.50000	0.41880	0.12500
10	0.25000	0.91880	0.12500
11	0.00000	0.58120	0.87500
12	0.75000	0.08120	0.37500
(0,0,1/2)' + set click here to show and hide
13	0.00000	0.41880	0.62500
14	0.75000	0.91880	0.62500
15	0.50000	0.58120	0.37500
16	0.25000	0.08120	0.87500

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu2+	0.12500	0.25000	0.00000	16	m_x,m_y,m_z	0.0	0.65(3)	0.0	0.65

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12500	0.25000	0.00000	m_x,m_y,m_z	0.00000	0.65000	0.00000
2	0.62500	0.75000	0.25000	-m_x,m_y,-m_z	0.00000	0.65000	0.00000
3	0.37500	0.75000	0.00000	m_x,m_y,m_z	0.00000	0.65000	0.00000
4	0.37500	0.25000	0.25000	-m_x,m_y,-m_z	0.00000	0.65000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.62500	0.25000	0.50000	m_x,m_y,m_z	0.00000	0.65000	0.00000
6	0.12500	0.75000	0.75000	-m_x,m_y,-m_z	0.00000	0.65000	0.00000
7	0.87500	0.75000	0.50000	m_x,m_y,m_z	0.00000	0.65000	0.00000
8	0.87500	0.25000	0.75000	-m_x,m_y,-m_z	0.00000	0.65000	0.00000
(1/2,0,0)' + set click here to show and hide
9	0.62500	0.25000	0.00000	-m_x,-m_y,-m_z	0.00000	-0.65000	0.00000
10	0.12500	0.75000	0.25000	m_x,-m_y,m_z	0.00000	-0.65000	0.00000
11	0.87500	0.75000	0.00000	-m_x,-m_y,-m_z	0.00000	-0.65000	0.00000
12	0.87500	0.25000	0.25000	m_x,-m_y,m_z	0.00000	-0.65000	0.00000
(0,0,1/2)' + set click here to show and hide
13	0.12500	0.25000	0.50000	-m_x,-m_y,-m_z	0.00000	-0.65000	0.00000
14	0.62500	0.75000	0.75000	m_x,-m_y,m_z	0.00000	-0.65000	0.00000
15	0.37500	0.75000	0.50000	-m_x,-m_y,-m_z	0.00000	-0.65000	0.00000
16	0.37500	0.25000	0.75000	m_x,-m_y,m_z	0.00000	-0.65000	0.00000

label	dim. full irrep	dim. small irrep	direction	action
mB2	2	1	special	primary

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