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+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
3	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
4	-x,y+1/2,z,+1	{ m₁₀₀ \| 0 1/2 0 }
(0,1/2,0)' + set click here to show and hide
5	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
6	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
7	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
8	-x,y,z,-1	{ m'₁₀₀ \| 0 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	x,-y,z,+1	m₀₁₀
4	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,z,-1	2'₀₀₁
7	x,-y,z,-1	m'₀₁₀
8	-x,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
V1_1	V	0.2878(9)	0.1243(6)	0.1047(9)	8	m_x,m_y,m_z	0.697(5)	0.70
V1_2	V	0.00000	0.9724(7)	0.3841(4)	4	0,m_y,m_z	0.128(6)	0.13
V1_3	V	0.00000	0.7738(7)	0.3888(6)	4	0,m_y,m_z	0.128(6)	0.13

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ge1	Ge	0.00000	0.3756(8)	0.9968(6)	4
S1_1	S	0.0000	0.0042(5)	0.6313(1)	4
S1_2	S	0.0000	0.2454(4)	0.6323(4)	4
S1_3	S	0.2366(3)	0.1316(5)	0.8712(3)	8
S2_1	S	0.0000	0.0143(1)	0.1288(8)	4
S2_2	S	0.0000	0.2405(3)	0.1339(5)	4
S2_3	S	0.2703(1)	0.8760(9)	0.8675(3)	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 V1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.28780	0.12430	0.10470	m_x,m_y,m_z	0.00000	0.00000	0.69700
2	0.21220	0.87570	0.60470	-m_x,-m_y,m_z	0.00000	0.00000	0.69700
3	0.78780	0.37570	0.60470	-m_x,m_y,-m_z	0.00000	0.00000	-0.69700
4	0.71220	0.62430	0.10470	m_x,-m_y,-m_z	0.00000	0.00000	-0.69700
(0,1/2,0)' + set click here to show and hide
5	0.28780	0.62430	0.10470	-m_x,-m_y,-m_z	0.00000	0.00000	-0.69700
6	0.21220	0.37570	0.60470	m_x,m_y,-m_z	0.00000	0.00000	-0.69700
7	0.78780	0.87570	0.60470	m_x,-m_y,m_z	0.00000	0.00000	0.69700
8	0.71220	0.12430	0.10470	-m_x,m_y,m_z	0.00000	0.00000	0.69700

Set of atoms in the unit cell related by symmetry with the magnetic atom V1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.97240	0.38410	0,m_y,m_z	0.00000	0.00000	0.12800
2	0.50000	0.02760	0.88410	0,-m_y,m_z	0.00000	0.00000	0.12800
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.47240	0.38410	0,-m_y,-m_z	0.00000	0.00000	-0.12800
4	0.50000	0.52760	0.88410	0,m_y,-m_z	0.00000	0.00000	-0.12800

Set of atoms in the unit cell related by symmetry with the magnetic atom V1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.77380	0.38880	0,m_y,m_z	0.00000	0.00000	0.12800
2	0.50000	0.22620	0.88880	0,-m_y,m_z	0.00000	0.00000	0.12800
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.27380	0.38880	0,-m_y,-m_z	0.00000	0.00000	-0.12800
4	0.50000	0.72620	0.88880	0,m_y,-m_z	0.00000	0.00000	-0.12800

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ge1:

Atom	x	y	z
1	0.00000	0.37560	0.99680
2	0.50000	0.62440	0.49680
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3	0.00000	0.87560	0.99680
4	0.50000	0.12440	0.49680

Set of atoms in the unit cell related by symmetry with the atom S1_1:

Atom	x	y	z
1	0.00000	0.00420	0.63130
2	0.50000	0.99580	0.13130
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3	0.00000	0.50420	0.63130
4	0.50000	0.49580	0.13130

Set of atoms in the unit cell related by symmetry with the atom S1_2:

Atom	x	y	z
1	0.00000	0.24540	0.63230
2	0.50000	0.75460	0.13230
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3	0.00000	0.74540	0.63230
4	0.50000	0.25460	0.13230

Set of atoms in the unit cell related by symmetry with the atom S1_3:

Atom	x	y	z
1	0.23660	0.13160	0.87120
2	0.26340	0.86840	0.37120
3	0.73660	0.36840	0.37120
4	0.76340	0.63160	0.87120
(0,1/2,0)' + set click here to show and hide
5	0.23660	0.63160	0.87120
6	0.26340	0.36840	0.37120
7	0.73660	0.86840	0.37120
8	0.76340	0.13160	0.87120

Set of atoms in the unit cell related by symmetry with the atom S2_1:

Atom	x	y	z
1	0.00000	0.01430	0.12880
2	0.50000	0.98570	0.62880
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3	0.00000	0.51430	0.12880
4	0.50000	0.48570	0.62880

Set of atoms in the unit cell related by symmetry with the atom S2_2:

Atom	x	y	z
1	0.00000	0.24050	0.13390
2	0.50000	0.75950	0.63390
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3	0.00000	0.74050	0.13390
4	0.50000	0.25950	0.63390

Set of atoms in the unit cell related by symmetry with the atom S2_3:

Atom	x	y	z
1	0.27030	0.87600	0.86750
2	0.22970	0.12400	0.36750
3	0.77030	0.62400	0.36750
4	0.72970	0.37600	0.86750
(0,1/2,0)' + set click here to show and hide
5	0.27030	0.37600	0.86750
6	0.22970	0.62400	0.36750
7	0.77030	0.12400	0.36750
8	0.72970	0.87600	0.86750

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
V1_1	V	0.2878(9)	0.1243(6)	0.1047(9)	8	m_x,m_y,m_z	0.697(5)	0.70
V1_2	V	0.00000	0.9724(7)	0.3841(4)	4	0,m_y,m_z	0.128(6)	0.13
V1_3	V	0.00000	0.7738(7)	0.3888(6)	4	0,m_y,m_z	0.128(6)	0.13

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mSM2	12	1	special	primary	7

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