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

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1	Cr	0.24827	0.00000	0.25000	8	m_x,0,m_z	0.88	0.0	1.72	1.90
Re1	Re	0.00000	0.77668	0.00000	8	0,m_y,0	0.0	0.33	0.0	0.33

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1	O	0.35110	0.23560	0.35460	16
O2	O	0.09690	0.00000	0.40430	8
O3	O	0.60480	0.00000	0.38520	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 Cr1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.24827	0.00000	0.25000	m_x,0,m_z	0.88000	0.00000	1.72000
2	0.75173	0.00000	0.75000	-m_x,0,-m_z	-0.88000	0.00000	-1.72000
(1/2,1/2,1/2) + set click here to show and hide
3	0.74827	0.50000	0.75000	m_x,0,m_z	0.88000	0.00000	1.72000
4	0.25173	0.50000	0.25000	-m_x,0,-m_z	-0.88000	0.00000	-1.72000
(0,0,1/2)' + set click here to show and hide
5	0.24827	0.00000	0.75000	-m_x,0,-m_z	-0.88000	0.00000	-1.72000
6	0.75173	0.00000	0.25000	m_x,0,m_z	0.88000	0.00000	1.72000
(1/2,1/2,0)' + set click here to show and hide
7	0.74827	0.50000	0.25000	-m_x,0,-m_z	-0.88000	0.00000	-1.72000
8	0.25173	0.50000	0.75000	m_x,0,m_z	0.88000	0.00000	1.72000

Set of atoms in the unit cell related by symmetry with the magnetic atom Re1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.77668	0.00000	0,m_y,0	0.00000	0.33000	0.00000
2	0.00000	0.22332	0.50000	0,m_y,0	0.00000	0.33000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.27668	0.50000	0,m_y,0	0.00000	0.33000	0.00000
4	0.50000	0.72332	0.00000	0,m_y,0	0.00000	0.33000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.77668	0.50000	0,-m_y,0	0.00000	-0.33000	0.00000
6	0.00000	0.22332	0.00000	0,-m_y,0	0.00000	-0.33000	0.00000
(1/2,1/2,0)' + set click here to show and hide
7	0.50000	0.27668	0.00000	0,-m_y,0	0.00000	-0.33000	0.00000
8	0.50000	0.72332	0.50000	0,-m_y,0	0.00000	-0.33000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.35110	0.23560	0.35460
2	0.64890	0.23560	0.64540
3	0.64890	0.76440	0.14540
4	0.35110	0.76440	0.85460
(1/2,1/2,1/2) + set click here to show and hide
5	0.85110	0.73560	0.85460
6	0.14890	0.73560	0.14540
7	0.14890	0.26440	0.64540
8	0.85110	0.26440	0.35460
(0,0,1/2)' + set click here to show and hide
9	0.35110	0.23560	0.85460
10	0.64890	0.23560	0.14540
11	0.64890	0.76440	0.64540
12	0.35110	0.76440	0.35460
(1/2,1/2,0)' + set click here to show and hide
13	0.85110	0.73560	0.35460
14	0.14890	0.73560	0.64540
15	0.14890	0.26440	0.14540
16	0.85110	0.26440	0.85460

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.09690	0.00000	0.40430
2	0.90310	0.00000	0.59570
(1/2,1/2,1/2) + set click here to show and hide
3	0.59690	0.50000	0.90430
4	0.40310	0.50000	0.09570
(0,0,1/2)' + set click here to show and hide
5	0.09690	0.00000	0.90430
6	0.90310	0.00000	0.09570
(1/2,1/2,0)' + set click here to show and hide
7	0.59690	0.50000	0.40430
8	0.40310	0.50000	0.59570

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.60480	0.00000	0.38520
2	0.39520	0.00000	0.61480
(1/2,1/2,1/2) + set click here to show and hide
3	0.10480	0.50000	0.88520
4	0.89520	0.50000	0.11480
(0,0,1/2)' + set click here to show and hide
5	0.60480	0.00000	0.88520
6	0.39520	0.00000	0.11480
(1/2,1/2,0)' + set click here to show and hide
7	0.10480	0.50000	0.38520
8	0.89520	0.50000	0.61480

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1	Cr	0.24827	0.00000	0.25000	8	m_x,0,m_z	0.88	0.0	1.72	1.90
Re1	Re	0.00000	0.77668	0.00000	8	0,m_y,0	0.0	0.33	0.0	0.33

label	dim. small irrep	dim. full irrep	action	number of modes
mM1-	1	1	primary	3

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