MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the setting of the parent structure (a_p,b_p,c_p) to the working setting (a,b,c):

[Hide]

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+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
3	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
4	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
5	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
6	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
7	-x,y,z,+1	{ m₁₀₀ \| 0 }
8	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
(1/2,1/2,0)' + set click here to show and hide
9	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
10	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
11	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
12	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
13	-x,-y,-z,-1	{ -1' \| 0 }
14	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }
15	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
16	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

[Hide]

Transformation matrix from the working setting (a,b,c) to the standard setting of the magnetic space group (a_s,b_s,c_s):

[Hide]

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

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	x,-y,-z,+1	2₁₀₀
4	-x,y,-z,+1	2₀₁₀
5	-x,-y,-z,+1	-1
6	x,y,-z,+1	m₀₀₁
7	-x,y,z,+1	m₁₀₀
8	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,-y,z,-1	2'₀₀₁
11	x,-y,-z,-1	2'₁₀₀
12	-x,y,-z,-1	2'₀₁₀
13	-x,-y,-z,-1	-1'
14	x,y,-z,-1	m'₀₀₁
15	-x,y,z,-1	m'₁₀₀
16	x,-y,z,-1	m'₀₁₀

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ce1	Ce	0.00000	0.12600	0.25000	1.	4	m_x,0,0	0.92(1)	0.0	0.0	0.92

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Os1	Os	0.25000	0.25000	0.00000	0.92	8
Ir1	Ir	0.25000	0.25000	0.00000	0.08	8
Al1	Al	0.22160	0.36610	0.25000	1.	8
Al2	Al	0.35120	0.13050	0.25000	1.	8
Al3	Al	0.00000	0.15870	0.60050	1.	8
Al4	Al	0.00000	0.37640	0.04850	1.	8
Al5	Al	0.22310	0.00000	0.00000	1.	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 Ce1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.12600	0.25000	m_x,0,0	0.92000	0.00000	0.00000
2	0.00000	0.87400	0.75000	-m_x,0,0	-0.92000	0.00000	0.00000
(1/2,1/2,0)' + set click here to show and hide
3	0.50000	0.62600	0.25000	-m_x,0,0	-0.92000	0.00000	0.00000
4	0.50000	0.37400	0.75000	m_x,0,0	0.92000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Os1:

Atom	x	y	z
1	0.25000	0.25000	0.00000
2	0.75000	0.75000	0.50000
3	0.75000	0.25000	0.00000
4	0.25000	0.75000	0.50000
(1/2,1/2,0)' + set click here to show and hide
5	0.75000	0.75000	0.00000
6	0.25000	0.25000	0.50000
7	0.25000	0.75000	0.00000
8	0.75000	0.25000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Ir1:

Atom	x	y	z
1	0.25000	0.25000	0.00000
2	0.75000	0.75000	0.50000
3	0.75000	0.25000	0.00000
4	0.25000	0.75000	0.50000
(1/2,1/2,0)' + set click here to show and hide
5	0.75000	0.75000	0.00000
6	0.25000	0.25000	0.50000
7	0.25000	0.75000	0.00000
8	0.75000	0.25000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Al1:

Atom	x	y	z
1	0.22160	0.36610	0.25000
2	0.77840	0.63390	0.75000
3	0.72160	0.13390	0.75000
4	0.27840	0.86610	0.25000
(1/2,1/2,0)' + set click here to show and hide
5	0.72160	0.86610	0.25000
6	0.27840	0.13390	0.75000
7	0.22160	0.63390	0.75000
8	0.77840	0.36610	0.25000

Set of atoms in the unit cell related by symmetry with the atom Al2:

Atom	x	y	z
1	0.35120	0.13050	0.25000
2	0.64880	0.86950	0.75000
3	0.85120	0.36950	0.75000
4	0.14880	0.63050	0.25000
(1/2,1/2,0)' + set click here to show and hide
5	0.85120	0.63050	0.25000
6	0.14880	0.36950	0.75000
7	0.35120	0.86950	0.75000
8	0.64880	0.13050	0.25000

Set of atoms in the unit cell related by symmetry with the atom Al3:

Atom	x	y	z
1	0.00000	0.15870	0.60050
2	0.00000	0.84130	0.10050
3	0.50000	0.34130	0.39950
4	0.50000	0.65870	0.89950
(1/2,1/2,0)' + set click here to show and hide
5	0.50000	0.65870	0.60050
6	0.50000	0.34130	0.10050
7	0.00000	0.84130	0.39950
8	0.00000	0.15870	0.89950

Set of atoms in the unit cell related by symmetry with the atom Al4:

Atom	x	y	z
1	0.00000	0.37640	0.04850
2	0.00000	0.62360	0.54850
3	0.50000	0.12360	0.95150
4	0.50000	0.87640	0.45150
(1/2,1/2,0)' + set click here to show and hide
5	0.50000	0.87640	0.04850
6	0.50000	0.12360	0.54850
7	0.00000	0.62360	0.95150
8	0.00000	0.37640	0.45150

Set of atoms in the unit cell related by symmetry with the atom Al5:

Atom	x	y	z
1	0.22310	0.00000	0.00000
2	0.77690	0.00000	0.50000
3	0.27690	0.50000	0.00000
4	0.72310	0.50000	0.50000
(1/2,1/2,0)' + set click here to show and hide
5	0.72310	0.50000	0.00000
6	0.27690	0.50000	0.50000
7	0.77690	0.00000	0.00000
8	0.22310	0.00000	0.50000

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ce1	Ce	0.00000	0.12600	0.25000	4	m_x,0,0	0.92(1)	0.0	0.0	0.92

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