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+y,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
(1/3,2/3,0) + set click here to show and hide
3	x+1/3,y+2/3,z,+1	{ 1 \| 1/3 2/3 0 }
4	-x+y+1/3,y+2/3,z+1/2,+1	{ m₁₀₀ \| 1/3 2/3 1/2 }
(2/3,1/3,0) + set click here to show and hide
5	x+2/3,y+1/3,z,+1	{ 1 \| 2/3 1/3 0 }
6	-x+y+2/3,y+1/3,z+1/2,+1	{ m₁₀₀ \| 2/3 1/3 1/2 }
(0,0,1/2)' + set click here to show and hide
7	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
8	-x+y,y,z,-1	{ m'₁₀₀ \| 0 }
(1/3,2/3,1/2)' + set click here to show and hide
9	x+1/3,y+2/3,z+1/2,-1	{ 1' \| 1/3 2/3 1/2 }
10	-x+y+1/3,y+2/3,z,-1	{ m'₁₀₀ \| 1/3 2/3 0 }
(2/3,1/3,1/2)' + set click here to show and hide
11	x+2/3,y+1/3,z+1/2,-1	{ 1' \| 2/3 1/3 1/2 }
12	-x+y+2/3,y+1/3,z,-1	{ m'₁₀₀ \| 2/3 1/3 0 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x+y,y,z,+1	m₁₀₀
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x+y,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V1_1	V	0.00000	0.00000	0.00000	6	m_x,2m_x,m_z	0.0	0.0	1.2	1.20
V1_2	V	0.00000	0.33333	0.00000	12	m_x,m_y,m_z	1.039	0.0	-0.6	1.20

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cl1_1	Cl	0.11111	0.22222	0.12500	6
Cl1_2	Cl	0.22222	0.11111	0.87500	12
Cl1_3	Cl	0.11111	0.55556	0.12500	12
Cl1_4	Cl	0.22222	0.44444	0.87500	6

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 V1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.20000
(1/3,2/3,0) + set click here to show and hide
2	0.33333	0.66667	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.20000
(2/3,1/3,0) + set click here to show and hide
3	0.66667	0.33333	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.20000
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.50000	-m_x,-2m_x,-m_z	0.00000	0.00000	-1.20000
(1/3,2/3,1/2)' + set click here to show and hide
5	0.33333	0.66667	0.50000	-m_x,-2m_x,-m_z	0.00000	0.00000	-1.20000
(2/3,1/3,1/2)' + set click here to show and hide
6	0.66667	0.33333	0.50000	-m_x,-2m_x,-m_z	0.00000	0.00000	-1.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom V1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.33333	0.00000	m_x,m_y,m_z	1.03900	0.00000	-0.60000
2	0.33333	0.33333	0.50000	m_x-m_y,-m_y,-m_z	1.03900	0.00000	0.60000
(1/3,2/3,0) + set click here to show and hide
3	0.33333	0.00000	0.00000	m_x,m_y,m_z	1.03900	0.00000	-0.60000
4	0.66666	0.00000	0.50000	m_x-m_y,-m_y,-m_z	1.03900	0.00000	0.60000
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.66666	0.00000	m_x,m_y,m_z	1.03900	0.00000	-0.60000
6	0.00000	0.66666	0.50000	m_x-m_y,-m_y,-m_z	1.03900	0.00000	0.60000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.33333	0.50000	-m_x,-m_y,-m_z	-1.03900	0.00000	0.60000
8	0.33333	0.33333	0.00000	-m_x+m_y,m_y,m_z	-1.03900	0.00000	-0.60000
(1/3,2/3,1/2)' + set click here to show and hide
9	0.33333	0.00000	0.50000	-m_x,-m_y,-m_z	-1.03900	0.00000	0.60000
10	0.66666	0.00000	0.00000	-m_x+m_y,m_y,m_z	-1.03900	0.00000	-0.60000
(2/3,1/3,1/2)' + set click here to show and hide
11	0.66667	0.66666	0.50000	-m_x,-m_y,-m_z	-1.03900	0.00000	0.60000
12	0.00000	0.66666	0.00000	-m_x+m_y,m_y,m_z	-1.03900	0.00000	-0.60000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Cl1_1:

Atom	x	y	z
1	0.11111	0.22222	0.12500
(1/3,2/3,0) + set click here to show and hide
2	0.44444	0.88889	0.12500
(2/3,1/3,0) + set click here to show and hide
3	0.77778	0.55555	0.12500
(0,0,1/2)' + set click here to show and hide
4	0.11111	0.22222	0.62500
(1/3,2/3,1/2)' + set click here to show and hide
5	0.44444	0.88889	0.62500
(2/3,1/3,1/2)' + set click here to show and hide
6	0.77778	0.55555	0.62500

Set of atoms in the unit cell related by symmetry with the atom Cl1_2:

Atom	x	y	z
1	0.22222	0.11111	0.87500
2	0.88889	0.11111	0.37500
(1/3,2/3,0) + set click here to show and hide
3	0.55555	0.77778	0.87500
4	0.22222	0.77778	0.37500
(2/3,1/3,0) + set click here to show and hide
5	0.88889	0.44444	0.87500
6	0.55556	0.44444	0.37500
(0,0,1/2)' + set click here to show and hide
7	0.22222	0.11111	0.37500
8	0.88889	0.11111	0.87500
(1/3,2/3,1/2)' + set click here to show and hide
9	0.55555	0.77778	0.37500
10	0.22222	0.77778	0.87500
(2/3,1/3,1/2)' + set click here to show and hide
11	0.88889	0.44444	0.37500
12	0.55556	0.44444	0.87500

Set of atoms in the unit cell related by symmetry with the atom Cl1_3:

Atom	x	y	z
1	0.11111	0.55556	0.12500
2	0.44445	0.55556	0.62500
(1/3,2/3,0) + set click here to show and hide
3	0.44444	0.22223	0.12500
4	0.77778	0.22223	0.62500
(2/3,1/3,0) + set click here to show and hide
5	0.77778	0.88889	0.12500
6	0.11112	0.88889	0.62500
(0,0,1/2)' + set click here to show and hide
7	0.11111	0.55556	0.62500
8	0.44445	0.55556	0.12500
(1/3,2/3,1/2)' + set click here to show and hide
9	0.44444	0.22223	0.62500
10	0.77778	0.22223	0.12500
(2/3,1/3,1/2)' + set click here to show and hide
11	0.77778	0.88889	0.62500
12	0.11112	0.88889	0.12500

Set of atoms in the unit cell related by symmetry with the atom Cl1_4:

Atom	x	y	z
1	0.22222	0.44444	0.87500
(1/3,2/3,0) + set click here to show and hide
2	0.55555	0.11111	0.87500
(2/3,1/3,0) + set click here to show and hide
3	0.88889	0.77777	0.87500
(0,0,1/2)' + set click here to show and hide
4	0.22222	0.44444	0.37500
(1/3,2/3,1/2)' + set click here to show and hide
5	0.55555	0.11111	0.37500
(2/3,1/3,1/2)' + set click here to show and hide
6	0.88889	0.77777	0.37500

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V1_1	V	0.00000	0.00000	0.00000	6	m_x,2m_x,m_z	0.0	0.0	1.2	1.20
V1_2	V	0.00000	0.33333	0.00000	12	m_x,m_y,m_z	1.039	0.0	-0.6	1.20

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