MAGNDATA - Collection of Magnetic Structures

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

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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,-x+y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,x-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-x+y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,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_1	Cu	0.50000	0.00000	0.00000	4	m_x,m_y,m_z	0.0	0.831(18)	0.0	0.83
Cu1_2	Cu	0.00000	0.50000	0.00000	2	0,m_y,0	0.0	0.831	0.0	0.83

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Mg1	Mg	0.00000	0.00000	0.00000	2
Br1	Br	0.33333	0.66667	0.31910	4
O1_1	O	0.82592	0.17408	0.00000	8
O1_2	O	0.34816	0.17408	0.00000	4
D1_1	D	0.19300	0.80700	0.14333	8
D1_2	D	0.61400	0.80700	0.14333	4

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Magnetic atoms:

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	0.00000	0.83100	0.00000
2	0.50000	0.50000	0.00000	-m_x,-m_x+m_y,-m_z	0.00000	0.83100	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.50000	-m_x,-m_y,-m_z	0.00000	-0.83100	0.00000
4	0.50000	0.50000	0.50000	m_x,m_x-m_y,m_z	0.00000	-0.83100	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	0,m_y,0	0.00000	0.83100	0.00000
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.50000	0.50000	0,-m_y,0	0.00000	-0.83100	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Mg1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Br1:

Atom	x	y	z
1	0.33333	0.66667	0.31910
2	0.66667	0.33334	0.68090
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.81910
4	0.66667	0.33334	0.18090

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.82592	0.17408	0.00000
2	0.17408	0.34816	0.00000
3	0.17408	0.82592	0.00000
4	0.82592	0.65184	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.82592	0.17408	0.50000
6	0.17408	0.34816	0.50000
7	0.17408	0.82592	0.50000
8	0.82592	0.65184	0.50000

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.34816	0.17408	0.00000
2	0.65184	0.82592	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.34816	0.17408	0.50000
4	0.65184	0.82592	0.50000

Set of atoms in the unit cell related by symmetry with the atom D1_1:

Atom	x	y	z
1	0.19300	0.80700	0.14333
2	0.80700	0.61400	0.85667
3	0.80700	0.19300	0.85667
4	0.19300	0.38600	0.14333
(0,0,1/2)' + set click here to show and hide
5	0.19300	0.80700	0.64333
6	0.80700	0.61400	0.35667
7	0.80700	0.19300	0.35667
8	0.19300	0.38600	0.64333

Set of atoms in the unit cell related by symmetry with the atom D1_2:

Atom	x	y	z
1	0.61400	0.80700	0.14333
2	0.38600	0.19300	0.85667
(0,0,1/2)' + set click here to show and hide
3	0.61400	0.80700	0.64333
4	0.38600	0.19300	0.35667

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1_1	Cu	0.50000	0.00000	0.00000	4	m_x,m_y,m_z	0.0	0.831(18)	0.0	0.83
Cu1_2	Cu	0.00000	0.50000	0.00000	2	0,m_y,0	0.0	0.831	0.0	0.83

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