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+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
(1/2,1/2,0)' + set click here to show and hide
5	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
6	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
7	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
8	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 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:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
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	2'₀₁₀
7	-x,-y,-z,-1	-1'
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	Cu	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	0.13(7)	0.50(1)	0.00(8)	0.52

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Se1	Se	0.13990	-0.43530	0.32990	8
O1	O	0.12580	0.22510	-0.01310	8
O2	O	0.12560	-0.22370	0.15840	8
O3	O	0.00000	-0.61680	0.25000	4

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	0.13000	0.50000	0.00000
2	0.50000	0.50000	0.50000	-m_x,m_y,-m_z	-0.13000	0.50000	0.00000
(1/2,1/2,0)' + set click here to show and hide
3	0.50000	0.50000	0.00000	-m_x,-m_y,-m_z	-0.13000	-0.50000	0.00000
4	0.00000	0.00000	0.50000	m_x,-m_y,m_z	0.13000	-0.50000	0.00000

Atom	x	y	z
1	0.13990	0.56470	0.32990
2	0.36010	0.06470	0.17010
3	0.86010	0.43530	0.67010
4	0.63990	0.93530	0.82990
(1/2,1/2,0)' + set click here to show and hide
5	0.63990	0.06470	0.32990
6	0.86010	0.56470	0.17010
7	0.36010	0.93530	0.67010
8	0.13990	0.43530	0.82990

Atom	x	y	z
1	0.12580	0.22510	0.98690
2	0.37420	0.72510	0.51310
3	0.87420	0.77490	0.01310
4	0.62580	0.27490	0.48690
(1/2,1/2,0)' + set click here to show and hide
5	0.62580	0.72510	0.98690
6	0.87420	0.22510	0.51310
7	0.37420	0.27490	0.01310
8	0.12580	0.77490	0.48690

Atom	x	y	z
1	0.12560	0.77630	0.15840
2	0.37440	0.27630	0.34160
3	0.87440	0.22370	0.84160
4	0.62560	0.72370	0.65840
(1/2,1/2,0)' + set click here to show and hide
5	0.62560	0.27630	0.15840
6	0.87440	0.77630	0.34160
7	0.37440	0.72370	0.84160
8	0.12560	0.22370	0.65840

Atom	x	y	z
1	0.00000	0.38320	0.25000
2	0.00000	0.61680	0.75000
(1/2,1/2,0)' + set click here to show and hide
3	0.50000	0.88320	0.25000
4	0.50000	0.11680	0.75000

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	0.13(7)	0.50(1)	0.00(8)	0.52

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	0.13000	0.50000	0.00000
2	0.50000	0.50000	0.50000	-m_x,m_y,-m_z	-0.13000	0.50000	0.00000
(1/2,1/2,0)' + set click here to show and hide
3	0.50000	0.50000	0.00000	-m_x,-m_y,-m_z	-0.13000	-0.50000	0.00000
4	0.00000	0.00000	0.50000	m_x,-m_y,m_z	0.13000	-0.50000	0.00000

label	dim. small irrep	dim. full irrep	action
mY2+	1	1	primary

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