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	{ 2₀₁₀ \| 1/2 0 0 }
3	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
4	x,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 0 1/2 1/2 }
5	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
6	x+1/2,-y,z+1/2,+1	{ m₀₁₀ \| 1/2 0 1/2 }
7	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
8	-x,y+1/2,z,+1	{ m₁₀₀ \| 0 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+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
11	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
12	x,-y+1/2,-z,-1	{ 2'₁₀₀ \| 0 1/2 0 }
13	-x,-y,-z,-1	{ -1' \| 0 }
14	x+1/2,-y,z,-1	{ m'₀₁₀ \| 1/2 0 0 }
15	x+1/2,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 }
16	-x,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 0 1/2 1/2 }

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

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Gd1	Gd	0.25000	0.25000	0.25000	1.	4	m_x,0,0	6.02(13)	0.0	0.0	6.02
Fe1	Fe	0.00000	0.00000	0.25000	0.5	1	m_x,m_y,m_z	3.84(15	0.0	0.0	3.84

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Zn1	Zn	0.00000	0.00000	0.25000	0.5	8
Ge1_1	Ge	0.52640	0.25000	0.00000	1.	8
Ge1_2	Ge	0.25000	0.52640	0.00000	1.	8
O1	O	0.63500	0.36500	0.08900	1.	16
O2_1	O	0.15400	0.05400	0.12950	1.	16
O2_2	O	0.44600	0.15400	0.12950	1.	16

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 Gd1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.25000	m_x,0,0	6.02000	0.00000	0.00000
2	0.75000	0.75000	0.25000	m_x,0,0	6.02000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.25000	0.25000	0.75000	-m_x,0,0	-6.02000	0.00000	0.00000
4	0.75000	0.75000	0.75000	-m_x,0,0	-6.02000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Zn1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.50000	0.00000	0.75000
3	0.50000	0.50000	0.75000
4	0.00000	0.50000	0.25000
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5	0.00000	0.00000	0.75000
6	0.50000	0.00000	0.25000
7	0.50000	0.50000	0.25000
8	0.00000	0.50000	0.75000

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

Atom	x	y	z
1	0.52640	0.25000	0.00000
2	0.97360	0.25000	0.00000
3	0.47360	0.75000	0.50000
4	0.02640	0.75000	0.50000
(0,0,1/2)' + set click here to show and hide
5	0.52640	0.25000	0.50000
6	0.97360	0.25000	0.50000
7	0.47360	0.75000	0.00000
8	0.02640	0.75000	0.00000

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

Atom	x	y	z
1	0.25000	0.52640	0.00000
2	0.25000	0.97360	0.50000
3	0.75000	0.47360	0.50000
4	0.75000	0.02640	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.52640	0.50000
6	0.25000	0.97360	0.00000
7	0.75000	0.47360	0.00000
8	0.75000	0.02640	0.50000

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

Atom	x	y	z
1	0.63500	0.36500	0.08900
2	0.86500	0.36500	0.91100
3	0.86500	0.13500	0.58900
4	0.63500	0.13500	0.41100
5	0.36500	0.63500	0.41100
6	0.13500	0.63500	0.58900
7	0.13500	0.86500	0.91100
8	0.36500	0.86500	0.08900
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9	0.63500	0.36500	0.58900
10	0.86500	0.36500	0.41100
11	0.86500	0.13500	0.08900
12	0.63500	0.13500	0.91100
13	0.36500	0.63500	0.91100
14	0.13500	0.63500	0.08900
15	0.13500	0.86500	0.41100
16	0.36500	0.86500	0.58900

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.15400	0.05400	0.12950
2	0.34600	0.05400	0.87050
3	0.34600	0.44600	0.62950
4	0.15400	0.44600	0.37050
5	0.84600	0.94600	0.37050
6	0.65400	0.94600	0.62950
7	0.65400	0.55400	0.87050
8	0.84600	0.55400	0.12950
(0,0,1/2)' + set click here to show and hide
9	0.15400	0.05400	0.62950
10	0.34600	0.05400	0.37050
11	0.34600	0.44600	0.12950
12	0.15400	0.44600	0.87050
13	0.84600	0.94600	0.87050
14	0.65400	0.94600	0.12950
15	0.65400	0.55400	0.37050
16	0.84600	0.55400	0.62950

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.44600	0.15400	0.12950
2	0.05400	0.15400	0.87050
3	0.05400	0.34600	0.62950
4	0.44600	0.34600	0.37050
5	0.55400	0.84600	0.37050
6	0.94600	0.84600	0.62950
7	0.94600	0.65400	0.87050
8	0.55400	0.65400	0.12950
(0,0,1/2)' + set click here to show and hide
9	0.44600	0.15400	0.62950
10	0.05400	0.15400	0.37050
11	0.05400	0.34600	0.12950
12	0.44600	0.34600	0.87050
13	0.55400	0.84600	0.87050
14	0.94600	0.84600	0.12950
15	0.94600	0.65400	0.37050
16	0.55400	0.65400	0.62950

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Gd1	Gd	0.25000	0.25000	0.25000	1.	4	m_x,0,0	6.02(13)	0.0	0.0	6.02
Fe1	Fe	0.00000	0.00000	0.25000	0.5	1	m_x,m_y,m_z	3.84(15	0.0	0.0	3.84

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mZ5-	2	2	special	primary	4

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