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	{ 4⁺₀₀₁ \| 0 }
3	y,-x,z,+1	{ 4^-₀₀₁ \| 0 }
4	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
5	-x,y,z,-1	{ m'₁₀₀ \| 0 }
6	x,-y,z,-1	{ m'₀₁₀ \| 0 }
7	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
8	y,x,z,-1	{ m'_1-10 \| 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	-y+1/2,x+1/2,z+1/2,+1	{ 4⁺₀₀₁ \| 1/2 1/2 1/2 }
11	y+1/2,-x+1/2,z+1/2,+1	{ 4^-₀₀₁ \| 1/2 1/2 1/2 }
12	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
13	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
14	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }
15	-y+1/2,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 1/2 1/2 1/2 }
16	y+1/2,x+1/2,z+1/2,-1	{ m'_1-10 \| 1/2 1/2 1/2 }

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Ce1_1	Ce	0.00000	0.00000	0.16667	2	0,0,m_z	0.45(6)	0.45
Ce1_2	Ce	0.50000	0.50000	0.33333	2	0,0,m_z	-0.62(8)	0.62
Ce1_3	Ce	0.00000	0.00000	0.50000	2	0,0,m_z	0.17(3)	0.17

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ir1_1	Ir	0.00000	0.00000	0.05304	2
Ir1_2	Ir	0.50000	0.50000	0.21970	2
Ir1_3	Ir	0.00000	0.00000	0.38637	2
Ge1_1	Ge	0.00000	0.00000	0.30664	2
Ge1_2	Ge	0.50000	0.50000	0.47331	2
Ge1_3	Ge	0.00000	0.00000	0.63997	2
Ge2_1	Ge	0.00000	0.50000	0.08771	4
Ge2_2	Ge	0.50000	0.00000	0.25437	4
Ge2_3	Ge	0.00000	0.50000	0.42104	4

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 Ce1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.16667	0,0,m_z	0.00000	0.00000	0.45000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.66667	0,0,m_z	0.00000	0.00000	0.45000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ce1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.50000	0.33333	0,0,m_z	0.00000	0.00000	-0.62000
(1/2,1/2,1/2) + set click here to show and hide
2	0.00000	0.00000	0.83333	0,0,m_z	0.00000	0.00000	-0.62000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ce1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	0,0,m_z	0.00000	0.00000	0.17000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.00000	0,0,m_z	0.00000	0.00000	0.17000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ir1_1:

Atom	x	y	z
1	0.00000	0.00000	0.05304
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.55304

Set of atoms in the unit cell related by symmetry with the atom Ir1_2:

Atom	x	y	z
1	0.50000	0.50000	0.21970
(1/2,1/2,1/2) + set click here to show and hide
2	0.00000	0.00000	0.71970

Set of atoms in the unit cell related by symmetry with the atom Ir1_3:

Atom	x	y	z
1	0.00000	0.00000	0.38637
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.88637

Set of atoms in the unit cell related by symmetry with the atom Ge1_1:

Atom	x	y	z
1	0.00000	0.00000	0.30664
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.80664

Set of atoms in the unit cell related by symmetry with the atom Ge1_2:

Atom	x	y	z
1	0.50000	0.50000	0.47331
(1/2,1/2,1/2) + set click here to show and hide
2	0.00000	0.00000	0.97331

Set of atoms in the unit cell related by symmetry with the atom Ge1_3:

Atom	x	y	z
1	0.00000	0.00000	0.63997
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.13997

Set of atoms in the unit cell related by symmetry with the atom Ge2_1:

Atom	x	y	z
1	0.00000	0.50000	0.08771
2	0.50000	0.00000	0.08771
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.00000	0.58771
4	0.00000	0.50000	0.58771

Set of atoms in the unit cell related by symmetry with the atom Ge2_2:

Atom	x	y	z
1	0.50000	0.00000	0.25437
2	0.00000	0.50000	0.25437
(1/2,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.75437
4	0.50000	0.00000	0.75437

Set of atoms in the unit cell related by symmetry with the atom Ge2_3:

Atom	x	y	z
1	0.00000	0.50000	0.42104
2	0.50000	0.00000	0.42104
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.00000	0.92104
4	0.00000	0.50000	0.92104

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Ce1_1	Ce	0.00000	0.00000	0.16667	2	0,0,m_z	0.45(6)	0.45
Ce1_2	Ce	0.50000	0.50000	0.33333	2	0,0,m_z	-0.62(8)	0.62
Ce1_3	Ce	0.00000	0.00000	0.50000	2	0,0,m_z	0.17(3)	0.17

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