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	{ 2₀₀₁ \| 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,y,-z,+1	{ m₀₀₁ \| 0 }
5	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
6	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
7	-x,y,z,-1	{ m'₁₀₀ \| 0 }
8	x,-y,z,-1	{ m'₀₁₀ \| 0 }
(1/2,1/2,1/2) + set click here to show and hide
9	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
10	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
11	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
12	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
13	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
14	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
15	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
16	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

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Symmetry operations of the magnetic point group in the setting used:

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
U1_1	U	0.00000	0.00000	0.00000	1.0000	2	0,0,m_z	0.0	0.0	-0.6	0.60
U1_2	U	0.33333	0.00000	0.00000	1.0000	4	0,0,m_z	0.0	0.0	0.6	0.60

Non-magnetic atoms:

Label	Atom type	x	z	Occupancy	Multiplicity
Rh1_1	Rh	0.50000	0.25000	0.0400	4
Rh1_2	Rh	0.16667	0.25000	0.0400	8
Ru1_1	Ru	0.50000	0.25000	0.9600	4
Ru1_2	Ru	0.16667	0.25000	0.9600	8
Si1_1	Si	0.00000	0.62900	1.0000	4
Si1_2	Si	0.33333	0.62900	1.0000	8

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 U1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	-0.60000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.50000	0,0,m_z	0.00000	0.00000	-0.60000

Set of atoms in the unit cell related by symmetry with the magnetic atom U1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.00000	0.00000	0,0,m_z	0.00000	0.00000	0.60000
2	0.66667	0.00000	0.00000	0,0,m_z	0.00000	0.00000	0.60000
(1/2,1/2,1/2) + set click here to show and hide
3	0.83333	0.50000	0.50000	0,0,m_z	0.00000	0.00000	0.60000
4	0.16667	0.50000	0.50000	0,0,m_z	0.00000	0.00000	0.60000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Rh1_1:

Atom	x	y	z
1	0.50000	0.00000	0.25000
2	0.50000	0.00000	0.75000
(1/2,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.75000
4	0.00000	0.50000	0.25000

Set of atoms in the unit cell related by symmetry with the atom Rh1_2:

Atom	x	y	z
1	0.16667	0.00000	0.25000
2	0.83333	0.00000	0.25000
3	0.83333	0.00000	0.75000
4	0.16667	0.00000	0.75000
(1/2,1/2,1/2) + set click here to show and hide
5	0.66667	0.50000	0.75000
6	0.33333	0.50000	0.75000
7	0.33333	0.50000	0.25000
8	0.66667	0.50000	0.25000

Set of atoms in the unit cell related by symmetry with the atom Ru1_1:

Atom	x	y	z
1	0.50000	0.00000	0.25000
2	0.50000	0.00000	0.75000
(1/2,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.75000
4	0.00000	0.50000	0.25000

Set of atoms in the unit cell related by symmetry with the atom Ru1_2:

Atom	x	y	z
1	0.16667	0.00000	0.25000
2	0.83333	0.00000	0.25000
3	0.83333	0.00000	0.75000
4	0.16667	0.00000	0.75000
(1/2,1/2,1/2) + set click here to show and hide
5	0.66667	0.50000	0.75000
6	0.33333	0.50000	0.75000
7	0.33333	0.50000	0.25000
8	0.66667	0.50000	0.25000

Set of atoms in the unit cell related by symmetry with the atom Si1_1:

Atom	x	y	z
1	0.00000	0.00000	0.62900
2	0.00000	0.00000	0.37100
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.12900
4	0.50000	0.50000	0.87100

Set of atoms in the unit cell related by symmetry with the atom Si1_2:

Atom	x	y	z
1	0.33333	0.00000	0.62900
2	0.66667	0.00000	0.62900
3	0.66667	0.00000	0.37100
4	0.33333	0.00000	0.37100
(1/2,1/2,1/2) + set click here to show and hide
5	0.83333	0.50000	0.12900
6	0.16667	0.50000	0.12900
7	0.16667	0.50000	0.87100
8	0.83333	0.50000	0.87100

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
U1_1	U	0.00000	0.00000	0.00000	2	0,0,m_z	0.0	0.0	-0.6	0.60
U1_2	U	0.33333	0.00000	0.00000	4	0,0,m_z	0.0	0.0	0.6	0.60

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