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-y,z,+1	{ 3⁺₀₀₁ \| 0 }
3	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
4	-x+y,y,z,-1	{ m'₁₀₀ \| 0 }
5	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
6	x,x-y,z,-1	{ m'₀₁₀ \| 0 }
(1/3,2/3,2/3) + set click here to show and hide
7	x+1/3,y+2/3,z+2/3,+1	{ 1 \| 1/3 2/3 2/3 }
8	-y+1/3,x-y+2/3,z+2/3,+1	{ 3⁺₀₀₁ \| 1/3 2/3 2/3 }
9	-x+y+1/3,-x+2/3,z+2/3,+1	{ 3^-₀₀₁ \| 1/3 2/3 2/3 }
10	-x+y+1/3,y+2/3,z+2/3,-1	{ m'₁₀₀ \| 1/3 2/3 2/3 }
11	-y+1/3,-x+2/3,z+2/3,-1	{ m'₁₁₀ \| 1/3 2/3 2/3 }
12	x+1/3,x-y+2/3,z+2/3,-1	{ m'₀₁₀ \| 1/3 2/3 2/3 }
(2/3,1/3,1/3) + set click here to show and hide
13	x+2/3,y+1/3,z+1/3,+1	{ 1 \| 2/3 1/3 1/3 }
14	-y+2/3,x-y+1/3,z+1/3,+1	{ 3⁺₀₀₁ \| 2/3 1/3 1/3 }
15	-x+y+2/3,-x+1/3,z+1/3,+1	{ 3^-₀₀₁ \| 2/3 1/3 1/3 }
16	-x+y+2/3,y+1/3,z+1/3,-1	{ m'₁₀₀ \| 2/3 1/3 1/3 }
17	-y+2/3,-x+1/3,z+1/3,-1	{ m'₁₁₀ \| 2/3 1/3 1/3 }
18	x+2/3,x-y+1/3,z+1/3,-1	{ m'₀₁₀ \| 2/3 1/3 1/3 }

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V1	V	0.00000	0.00000	0.39100	3	0,0,m_z	0.0	0.0	0.23(2)	0.23
V2	V	0.86034	0.13966	0.53467	9	m_x,-m_x,m_z	-0.079(8)	0.079(8)	0.17(1)	0.22

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ga1	Ga	0.00000	0.00000	0.00000	3
S1	S	0.00000	0.00000	0.62980	3
S2	S	0.17080	0.82920	0.45450	9
S3	S	0.00000	0.00000	0.13530	3
S4	S	0.84804	0.15196	0.28557	9

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 V1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.39100	0,0,m_z	0.00000	0.00000	0.23000
(1/3,2/3,2/3) + set click here to show and hide
2	0.33333	0.66667	0.05767	0,0,m_z	0.00000	0.00000	0.23000
(2/3,1/3,1/3) + set click here to show and hide
3	0.66667	0.33333	0.72433	0,0,m_z	0.00000	0.00000	0.23000

Set of atoms in the unit cell related by symmetry with the magnetic atom V2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.86034	0.13966	0.53467	m_x,-m_x,m_z	-0.07900	0.07900	0.17000
2	0.86034	0.72068	0.53467	m_x,2m_x,m_z	-0.07900	-0.15800	0.17000
3	0.27932	0.13966	0.53467	-2m_x,-m_x,m_z	0.15800	0.07900	0.17000
(1/3,2/3,2/3) + set click here to show and hide
4	0.19367	0.80633	0.20134	m_x,-m_x,m_z	-0.07900	0.07900	0.17000
5	0.19367	0.38735	0.20134	m_x,2m_x,m_z	-0.07900	-0.15800	0.17000
6	0.61265	0.80633	0.20134	-2m_x,-m_x,m_z	0.15800	0.07900	0.17000
(2/3,1/3,1/3) + set click here to show and hide
7	0.52701	0.47299	0.86800	m_x,-m_x,m_z	-0.07900	0.07900	0.17000
8	0.52701	0.05401	0.86800	m_x,2m_x,m_z	-0.07900	-0.15800	0.17000
9	0.94599	0.47299	0.86800	-2m_x,-m_x,m_z	0.15800	0.07900	0.17000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ga1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
(1/3,2/3,2/3) + set click here to show and hide
2	0.33333	0.66667	0.66667
(2/3,1/3,1/3) + set click here to show and hide
3	0.66667	0.33333	0.33333

Set of atoms in the unit cell related by symmetry with the atom S1:

Atom	x	y	z
1	0.00000	0.00000	0.62980
(1/3,2/3,2/3) + set click here to show and hide
2	0.33333	0.66667	0.29647
(2/3,1/3,1/3) + set click here to show and hide
3	0.66667	0.33333	0.96313

Set of atoms in the unit cell related by symmetry with the atom S2:

Atom	x	y	z
1	0.17080	0.82920	0.45450
2	0.17080	0.34160	0.45450
3	0.65840	0.82920	0.45450
(1/3,2/3,2/3) + set click here to show and hide
4	0.50413	0.49587	0.12117
5	0.50413	0.00827	0.12117
6	0.99173	0.49587	0.12117
(2/3,1/3,1/3) + set click here to show and hide
7	0.83747	0.16253	0.78783
8	0.83747	0.67493	0.78783
9	0.32507	0.16253	0.78783

Set of atoms in the unit cell related by symmetry with the atom S3:

Atom	x	y	z
1	0.00000	0.00000	0.13530
(1/3,2/3,2/3) + set click here to show and hide
2	0.33333	0.66667	0.80197
(2/3,1/3,1/3) + set click here to show and hide
3	0.66667	0.33333	0.46863

Set of atoms in the unit cell related by symmetry with the atom S4:

Atom	x	y	z
1	0.84804	0.15196	0.28557
2	0.84804	0.69608	0.28557
3	0.30392	0.15196	0.28557
(1/3,2/3,2/3) + set click here to show and hide
4	0.18137	0.81863	0.95224
5	0.18137	0.36275	0.95224
6	0.63725	0.81863	0.95224
(2/3,1/3,1/3) + set click here to show and hide
7	0.51471	0.48529	0.61890
8	0.51471	0.02941	0.61890
9	0.97059	0.48529	0.61890

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V1	V	0.00000	0.00000	0.39100	3	0,0,m_z	0.0	0.0	0.23(2)	0.23
V2	V	0.86034	0.13966	0.53467	9	m_x,-m_x,m_z	-0.079(8)	0.079(8)	0.17(1)	0.22

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2	1	1	primary	3

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