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	y,x,z+1/2,+1	{ m_1-10 \| 0 0 1/2 }
3	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
4	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
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5	x+1/3,y+2/3,z,+1	{ 1 \| 1/3 2/3 0 }
6	y+1/3,x+2/3,z+1/2,+1	{ m_1-10 \| 1/3 2/3 1/2 }
7	-x+1/3,-y+2/3,z+1/2,-1	{ 2'₀₀₁ \| 1/3 2/3 1/2 }
8	-y+1/3,-x+2/3,z,-1	{ m'₁₁₀ \| 1/3 2/3 0 }
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9	x+2/3,y+1/3,z,+1	{ 1 \| 2/3 1/3 0 }
10	y+2/3,x+1/3,z+1/2,+1	{ m_1-10 \| 2/3 1/3 1/2 }
11	-x+2/3,-y+1/3,z+1/2,-1	{ 2'₀₀₁ \| 2/3 1/3 1/2 }
12	-y+2/3,-x+1/3,z,-1	{ m'₁₁₀ \| 2/3 1/3 0 }

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1_1	Ni	0.00000	0.00000	0.00000	6	m_x,-m_x,m_z	0.0	0.0	1.25(2)	1.25
Ni1_2	Ni	0.00000	0.33333	0.00000	12	m_x,m_y,m_z	1.054	1.054	-0.672	1.25

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Rb1_1	Rb	0.11111	0.22222	0.75000	12
Rb1_2	Rb	0.11111	0.88889	0.75000	6
Cl1_1	Cl	0.05333	0.10666	0.25000	12
Cl1_2	Cl	0.05333	0.94667	0.25000	6
Cl1_3	Cl	0.05333	0.44000	0.25000	12
Cl1_4	Cl	0.89333	0.28000	0.25000	12
Cl1_5	Cl	0.05333	0.28000	0.25000	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 Ni1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,-m_x,m_z	0.00000	0.00000	1.25000
2	0.00000	0.00000	0.50000	m_x,-m_x,-m_z	0.00000	0.00000	-1.25000
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3	0.33333	0.66667	0.00000	m_x,-m_x,m_z	0.00000	0.00000	1.25000
4	0.33333	0.66667	0.50000	m_x,-m_x,-m_z	0.00000	0.00000	-1.25000
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.33333	0.00000	m_x,-m_x,m_z	0.00000	0.00000	1.25000
6	0.66667	0.33333	0.50000	m_x,-m_x,-m_z	0.00000	0.00000	-1.25000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1_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	1.05400	1.05400	-0.67200
2	0.33333	0.00000	0.50000	-m_y,-m_x,-m_z	-1.05400	-1.05400	0.67200
3	0.00000	0.66667	0.50000	m_x,m_y,-m_z	1.05400	1.05400	0.67200
4	0.66667	0.00000	0.00000	-m_y,-m_x,m_z	-1.05400	-1.05400	-0.67200
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5	0.33333	0.00000	0.00000	m_x,m_y,m_z	1.05400	1.05400	-0.67200
6	0.66666	0.66667	0.50000	-m_y,-m_x,-m_z	-1.05400	-1.05400	0.67200
7	0.33333	0.33334	0.50000	m_x,m_y,-m_z	1.05400	1.05400	0.67200
8	0.00000	0.66667	0.00000	-m_y,-m_x,m_z	-1.05400	-1.05400	-0.67200
(2/3,1/3,0) + set click here to show and hide
9	0.66667	0.66666	0.00000	m_x,m_y,m_z	1.05400	1.05400	-0.67200
10	0.00000	0.33333	0.50000	-m_y,-m_x,-m_z	-1.05400	-1.05400	0.67200
11	0.66667	0.00000	0.50000	m_x,m_y,-m_z	1.05400	1.05400	0.67200
12	0.33334	0.33333	0.00000	-m_y,-m_x,m_z	-1.05400	-1.05400	-0.67200

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Rb1_1:

Atom	x	y	z
1	0.11111	0.22222	0.75000
2	0.22222	0.11111	0.25000
3	0.88889	0.77778	0.25000
4	0.77778	0.88889	0.75000
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5	0.44444	0.88889	0.75000
6	0.55555	0.77778	0.25000
7	0.22222	0.44445	0.25000
8	0.11111	0.55556	0.75000
(2/3,1/3,0) + set click here to show and hide
9	0.77778	0.55555	0.75000
10	0.88889	0.44444	0.25000
11	0.55556	0.11111	0.25000
12	0.44445	0.22222	0.75000

Set of atoms in the unit cell related by symmetry with the atom Rb1_2:

Atom	x	y	z
1	0.11111	0.88889	0.75000
2	0.88889	0.11111	0.25000
(1/3,2/3,0) + set click here to show and hide
3	0.44444	0.55556	0.75000
4	0.22222	0.77778	0.25000
(2/3,1/3,0) + set click here to show and hide
5	0.77778	0.22222	0.75000
6	0.55556	0.44444	0.25000

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

Atom	x	y	z
1	0.05333	0.10666	0.25000
2	0.10666	0.05333	0.75000
3	0.94667	0.89334	0.75000
4	0.89334	0.94667	0.25000
(1/3,2/3,0) + set click here to show and hide
5	0.38666	0.77333	0.25000
6	0.43999	0.72000	0.75000
7	0.28000	0.56001	0.75000
8	0.22667	0.61334	0.25000
(2/3,1/3,0) + set click here to show and hide
9	0.72000	0.43999	0.25000
10	0.77333	0.38666	0.75000
11	0.61334	0.22667	0.75000
12	0.56001	0.28000	0.25000

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

Atom	x	y	z
1	0.05333	0.94667	0.25000
2	0.94667	0.05333	0.75000
(1/3,2/3,0) + set click here to show and hide
3	0.38666	0.61334	0.25000
4	0.28000	0.72000	0.75000
(2/3,1/3,0) + set click here to show and hide
5	0.72000	0.28000	0.25000
6	0.61334	0.38666	0.75000

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

Atom	x	y	z
1	0.05333	0.44000	0.25000
2	0.44000	0.05333	0.75000
3	0.94667	0.56000	0.75000
4	0.56000	0.94667	0.25000
(1/3,2/3,0) + set click here to show and hide
5	0.38666	0.10667	0.25000
6	0.77333	0.72000	0.75000
7	0.28000	0.22667	0.75000
8	0.89333	0.61334	0.25000
(2/3,1/3,0) + set click here to show and hide
9	0.72000	0.77333	0.25000
10	0.10667	0.38666	0.75000
11	0.61334	0.89333	0.75000
12	0.22667	0.28000	0.25000

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

Atom	x	y	z
1	0.89333	0.28000	0.25000
2	0.28000	0.89333	0.75000
3	0.10667	0.72000	0.75000
4	0.72000	0.10667	0.25000
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5	0.22666	0.94667	0.25000
6	0.61333	0.56000	0.75000
7	0.44000	0.38667	0.75000
8	0.05333	0.77334	0.25000
(2/3,1/3,0) + set click here to show and hide
9	0.56000	0.61333	0.25000
10	0.94667	0.22666	0.75000
11	0.77334	0.05333	0.75000
12	0.38667	0.44000	0.25000

Set of atoms in the unit cell related by symmetry with the atom Cl1_5:

Atom	x	y	z
1	0.05333	0.28000	0.25000
2	0.28000	0.05333	0.75000
3	0.94667	0.72000	0.75000
4	0.72000	0.94667	0.25000
(1/3,2/3,0) + set click here to show and hide
5	0.38666	0.94667	0.25000
6	0.61333	0.72000	0.75000
7	0.28000	0.38667	0.75000
8	0.05333	0.61334	0.25000
(2/3,1/3,0) + set click here to show and hide
9	0.72000	0.61333	0.25000
10	0.94667	0.38666	0.75000
11	0.61334	0.05333	0.75000
12	0.38667	0.28000	0.25000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1_1	Ni	0.00000	0.00000	0.00000	6	m_x,-m_x,m_z	0.0	0.0	1.25(2)	1.25
Ni1_2	Ni	0.00000	0.33333	0.00000	12	m_x,m_y,m_z	1.054	1.054	-0.672	1.25

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