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

[Hide]

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

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1	Cr	0.00000	0.00000	0.16615	12	m_x,m_y,m_z	3.	0.0	0.0	3.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cl1_1	Cl	0.65070	0.99250	0.03785	12
Cl1_2	Cl	0.00750	0.65820	0.03785	12
Cl1_3	Cl	0.34180	0.34930	0.03785	12

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 Cr1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.16615	m_x,m_y,m_z	3.00000	0.00000	0.00000
2	0.00000	0.00000	0.83385	m_x,m_y,m_z	3.00000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.49948	m_x,m_y,m_z	3.00000	0.00000	0.00000
4	0.33333	0.66667	0.16718	m_x,m_y,m_z	3.00000	0.00000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.83282	m_x,m_y,m_z	3.00000	0.00000	0.00000
6	0.66667	0.33333	0.50052	m_x,m_y,m_z	3.00000	0.00000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
7	0.66667	0.33333	0.33282	-m_x,-m_y,-m_z	-3.00000	0.00000	0.00000
8	0.66667	0.33333	0.00052	-m_x,-m_y,-m_z	-3.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.00000	0.66615	-m_x,-m_y,-m_z	-3.00000	0.00000	0.00000
10	0.00000	0.00000	0.33385	-m_x,-m_y,-m_z	-3.00000	0.00000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
11	0.33333	0.66667	0.99948	-m_x,-m_y,-m_z	-3.00000	0.00000	0.00000
12	0.33333	0.66667	0.66718	-m_x,-m_y,-m_z	-3.00000	0.00000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.65070	0.99250	0.03785
2	0.34930	0.00750	0.96215
(1/3,2/3,1/3) + set click here to show and hide
3	0.98403	0.65917	0.37118
4	0.68263	0.67417	0.29548
(2/3,1/3,2/3) + set click here to show and hide
5	0.31737	0.32583	0.70452
6	0.01597	0.34083	0.62882
(2/3,1/3,1/6)' + set click here to show and hide
7	0.31737	0.32583	0.20452
8	0.01597	0.34083	0.12882
(0,0,1/2)' + set click here to show and hide
9	0.65070	0.99250	0.53785
10	0.34930	0.00750	0.46215
(1/3,2/3,5/6)' + set click here to show and hide
11	0.98403	0.65917	0.87118
12	0.68263	0.67417	0.79548

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

Atom	x	y	z
1	0.00750	0.65820	0.03785
2	0.99250	0.34180	0.96215
(1/3,2/3,1/3) + set click here to show and hide
3	0.34083	0.32487	0.37118
4	0.32583	0.00847	0.29548
(2/3,1/3,2/3) + set click here to show and hide
5	0.67417	0.99153	0.70452
6	0.65917	0.67513	0.62882
(2/3,1/3,1/6)' + set click here to show and hide
7	0.67417	0.99153	0.20452
8	0.65917	0.67513	0.12882
(0,0,1/2)' + set click here to show and hide
9	0.00750	0.65820	0.53785
10	0.99250	0.34180	0.46215
(1/3,2/3,5/6)' + set click here to show and hide
11	0.34083	0.32487	0.87118
12	0.32583	0.00847	0.79548

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

Atom	x	y	z
1	0.34180	0.34930	0.03785
2	0.65820	0.65070	0.96215
(1/3,2/3,1/3) + set click here to show and hide
3	0.67513	0.01597	0.37118
4	0.99153	0.31737	0.29548
(2/3,1/3,2/3) + set click here to show and hide
5	0.00847	0.68263	0.70452
6	0.32487	0.98403	0.62882
(2/3,1/3,1/6)' + set click here to show and hide
7	0.00847	0.68263	0.20452
8	0.32487	0.98403	0.12882
(0,0,1/2)' + set click here to show and hide
9	0.34180	0.34930	0.53785
10	0.65820	0.65070	0.46215
(1/3,2/3,5/6)' + set click here to show and hide
11	0.67513	0.01597	0.87118
12	0.99153	0.31737	0.79548

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1	Cr	0.00000	0.00000	0.16615	12	m_x,m_y,m_z	3.	0.0	0.0	3.00

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