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	0.32320	12	m_x,m_y,m_z	-0.30(16)	0.04(9)	0.66(10)	0.73

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Br1_1	Br	0.32940	0.49190	0.07810	12
Br1_2	Br	0.01620	0.67280	0.07810	12
Br1_3	Br	0.65440	0.83530	0.07810	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	0.32320	m_x,m_y,m_z	-0.30000	0.04000	0.66000
2	0.00000	0.50000	0.67680	m_x,m_y,m_z	-0.30000	0.04000	0.66000
(1/3,1/3,2/3) + set click here to show and hide
3	0.33333	0.33333	0.98987	m_x,m_y,m_z	-0.30000	0.04000	0.66000
4	0.33333	0.83333	0.34347	m_x,m_y,m_z	-0.30000	0.04000	0.66000
(2/3,2/3,1/3) + set click here to show and hide
5	0.66667	0.66667	0.65653	m_x,m_y,m_z	-0.30000	0.04000	0.66000
6	0.66667	0.16667	0.01013	m_x,m_y,m_z	-0.30000	0.04000	0.66000
(2/3,1/6,1/3)' + set click here to show and hide
7	0.66667	0.16667	0.65653	-m_x,-m_y,-m_z	0.30000	-0.04000	-0.66000
8	0.66667	0.66667	0.01013	-m_x,-m_y,-m_z	0.30000	-0.04000	-0.66000
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.50000	0.32320	-m_x,-m_y,-m_z	0.30000	-0.04000	-0.66000
10	0.00000	0.00000	0.67680	-m_x,-m_y,-m_z	0.30000	-0.04000	-0.66000
(1/3,5/6,2/3)' + set click here to show and hide
11	0.33333	0.83333	0.98987	-m_x,-m_y,-m_z	0.30000	-0.04000	-0.66000
12	0.33333	0.33333	0.34347	-m_x,-m_y,-m_z	0.30000	-0.04000	-0.66000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Br1_1:

Atom	x	y	z
1	0.32940	0.49190	0.07810
2	0.67060	0.00810	0.92190
(1/3,1/3,2/3) + set click here to show and hide
3	0.66273	0.82523	0.74477
4	0.00393	0.34143	0.58857
(2/3,2/3,1/3) + set click here to show and hide
5	0.99607	0.15857	0.41143
6	0.33727	0.67477	0.25523
(2/3,1/6,1/3)' + set click here to show and hide
7	0.99607	0.65857	0.41143
8	0.33727	0.17477	0.25523
(0,1/2,0)' + set click here to show and hide
9	0.32940	0.99190	0.07810
10	0.67060	0.50810	0.92190
(1/3,5/6,2/3)' + set click here to show and hide
11	0.66273	0.32523	0.74477
12	0.00393	0.84143	0.58857

Set of atoms in the unit cell related by symmetry with the atom Br1_2:

Atom	x	y	z
1	0.01620	0.67280	0.07810
2	0.98380	0.82720	0.92190
(1/3,1/3,2/3) + set click here to show and hide
3	0.34953	0.00613	0.74477
4	0.31713	0.16053	0.58857
(2/3,2/3,1/3) + set click here to show and hide
5	0.68287	0.33947	0.41143
6	0.65047	0.49387	0.25523
(2/3,1/6,1/3)' + set click here to show and hide
7	0.68287	0.83947	0.41143
8	0.65047	0.99387	0.25523
(0,1/2,0)' + set click here to show and hide
9	0.01620	0.17280	0.07810
10	0.98380	0.32720	0.92190
(1/3,5/6,2/3)' + set click here to show and hide
11	0.34953	0.50613	0.74477
12	0.31713	0.66053	0.58857

Set of atoms in the unit cell related by symmetry with the atom Br1_3:

Atom	x	y	z
1	0.65440	0.83530	0.07810
2	0.34560	0.66470	0.92190
(1/3,1/3,2/3) + set click here to show and hide
3	0.98773	0.16863	0.74477
4	0.67893	0.99803	0.58857
(2/3,2/3,1/3) + set click here to show and hide
5	0.32107	0.50197	0.41143
6	0.01227	0.33137	0.25523
(2/3,1/6,1/3)' + set click here to show and hide
7	0.32107	0.00197	0.41143
8	0.01227	0.83137	0.25523
(0,1/2,0)' + set click here to show and hide
9	0.65440	0.33530	0.07810
10	0.34560	0.16470	0.92190
(1/3,5/6,2/3)' + set click here to show and hide
11	0.98773	0.66863	0.74477
12	0.67893	0.49803	0.58857

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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	0.32320	12	m_x,m_y,m_z	-0.30(16)	0.04(9)	0.66(10)	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