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

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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\|
Ru1	Ru	0.00000	0.00000	0.33300	12	m_x,m_y,m_z	0.49	0.0	0.54	0.73

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cl1_1	Cl	0.31780	0.16700	0.41180	12
Cl1_2	Cl	0.66600	0.99190	0.41180	12
Cl1_3	Cl	0.01620	0.84110	0.41180	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 Ru1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.33300	m_x,m_y,m_z	0.49000	0.00000	0.54000
2	0.00000	0.50000	0.66700	m_x,m_y,m_z	0.49000	0.00000	0.54000
(1/3,1/3,2/3) + set click here to show and hide
3	0.33333	0.33333	0.99967	m_x,m_y,m_z	0.49000	0.00000	0.54000
4	0.33333	0.83333	0.33367	m_x,m_y,m_z	0.49000	0.00000	0.54000
(2/3,2/3,1/3) + set click here to show and hide
5	0.66667	0.66667	0.66633	m_x,m_y,m_z	0.49000	0.00000	0.54000
6	0.66667	0.16667	0.00033	m_x,m_y,m_z	0.49000	0.00000	0.54000
(2/3,1/6,1/3)' + set click here to show and hide
7	0.66667	0.16667	0.66633	-m_x,-m_y,-m_z	-0.49000	0.00000	-0.54000
8	0.66667	0.66667	0.00033	-m_x,-m_y,-m_z	-0.49000	0.00000	-0.54000
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.50000	0.33300	-m_x,-m_y,-m_z	-0.49000	0.00000	-0.54000
10	0.00000	0.00000	0.66700	-m_x,-m_y,-m_z	-0.49000	0.00000	-0.54000
(1/3,5/6,2/3)' + set click here to show and hide
11	0.33333	0.83333	0.99967	-m_x,-m_y,-m_z	-0.49000	0.00000	-0.54000
12	0.33333	0.33333	0.33367	-m_x,-m_y,-m_z	-0.49000	0.00000	-0.54000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.31780	0.16700	0.41180
2	0.68220	0.33300	0.58820
(1/3,1/3,2/3) + set click here to show and hide
3	0.65113	0.50033	0.07847
4	0.01553	0.66633	0.25487
(2/3,2/3,1/3) + set click here to show and hide
5	0.98447	0.83367	0.74513
6	0.34887	0.99967	0.92153
(2/3,1/6,1/3)' + set click here to show and hide
7	0.98447	0.33367	0.74513
8	0.34887	0.49967	0.92153
(0,1/2,0)' + set click here to show and hide
9	0.31780	0.66700	0.41180
10	0.68220	0.83300	0.58820
(1/3,5/6,2/3)' + set click here to show and hide
11	0.65113	0.00033	0.07847
12	0.01553	0.16633	0.25487

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

Atom	x	y	z
1	0.66600	0.99190	0.41180
2	0.33400	0.50810	0.58820
(1/3,1/3,2/3) + set click here to show and hide
3	0.99933	0.32523	0.07847
4	0.66733	0.84143	0.25487
(2/3,2/3,1/3) + set click here to show and hide
5	0.33267	0.65857	0.74513
6	0.00067	0.17477	0.92153
(2/3,1/6,1/3)' + set click here to show and hide
7	0.33267	0.15857	0.74513
8	0.00067	0.67477	0.92153
(0,1/2,0)' + set click here to show and hide
9	0.66600	0.49190	0.41180
10	0.33400	0.00810	0.58820
(1/3,5/6,2/3)' + set click here to show and hide
11	0.99933	0.82523	0.07847
12	0.66733	0.34143	0.25487

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

Atom	x	y	z
1	0.01620	0.84110	0.41180
2	0.98380	0.65890	0.58820
(1/3,1/3,2/3) + set click here to show and hide
3	0.34953	0.17443	0.07847
4	0.31713	0.99223	0.25487
(2/3,2/3,1/3) + set click here to show and hide
5	0.68287	0.50777	0.74513
6	0.65047	0.32557	0.92153
(2/3,1/6,1/3)' + set click here to show and hide
7	0.68287	0.00777	0.74513
8	0.65047	0.82557	0.92153
(0,1/2,0)' + set click here to show and hide
9	0.01620	0.34110	0.41180
10	0.98380	0.15890	0.58820
(1/3,5/6,2/3)' + set click here to show and hide
11	0.34953	0.67443	0.07847
12	0.31713	0.49223	0.25487

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1	Ru	0.00000	0.00000	0.33300	12	m_x,m_y,m_z	0.49	0.0	0.54	0.73

label	dim. small irrep	dim. full irrep	action	number of modes
mF1-	1	3	primary	3

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