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	{ 2₀₀₁ \| 0 }
3	-x+1/4,y+1/4,z+1/4,+1	{ m₁₀₀ \| 1/4 1/4 1/4 }
4	x+1/4,-y+1/4,z+1/4,+1	{ m₀₁₀ \| 1/4 1/4 1/4 }
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5	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
6	-x,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
7	-x+1/4,y+3/4,z+3/4,+1	{ m₁₀₀ \| 1/4 3/4 3/4 }
8	x+1/4,-y+3/4,z+3/4,+1	{ m₀₁₀ \| 1/4 3/4 3/4 }
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9	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
10	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
11	-x+3/4,y+1/4,z+3/4,+1	{ m₁₀₀ \| 3/4 1/4 3/4 }
12	x+3/4,-y+1/4,z+3/4,+1	{ m₀₁₀ \| 3/4 1/4 3/4 }
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13	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
14	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
15	-x+3/4,y+3/4,z+1/4,+1	{ m₁₀₀ \| 3/4 3/4 1/4 }
16	x+3/4,-y+3/4,z+1/4,+1	{ m₀₁₀ \| 3/4 3/4 1/4 }

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1	Tb	0.00000	0.00000	0.00000	8	0,0,m_z	0.0	0.0	9.29(36)	9.29
Tb2	Tb	0.7692(12)	0.0799(5)	0.2557(12)	16	m_x,m_y,m_z	1.51(6)	2.76(9)	-7.8(19)	8.41

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ge1	Ge	0.00000	0.00000	0.4444(14)	8
Ge2	Ge	0.7977(17)	0.0663(6)	0.6540(14)	16
Ge3	Ge	0.7490(24)	0.0858(6)	0.8346(12)	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 Tb1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	9.29000
2	0.25000	0.25000	0.25000	0,0,-m_z	0.00000	0.00000	-9.29000
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3	0.00000	0.50000	0.50000	0,0,m_z	0.00000	0.00000	9.29000
4	0.25000	0.75000	0.75000	0,0,-m_z	0.00000	0.00000	-9.29000
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5	0.50000	0.00000	0.50000	0,0,m_z	0.00000	0.00000	9.29000
6	0.75000	0.25000	0.75000	0,0,-m_z	0.00000	0.00000	-9.29000
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7	0.50000	0.50000	0.00000	0,0,m_z	0.00000	0.00000	9.29000
8	0.75000	0.75000	0.25000	0,0,-m_z	0.00000	0.00000	-9.29000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.76920	0.07990	0.25570	m_x,m_y,m_z	1.51000	2.76000	-7.80000
2	0.23080	0.92010	0.25570	-m_x,-m_y,m_z	-1.51000	-2.76000	-7.80000
3	0.48080	0.32990	0.50570	m_x,-m_y,-m_z	1.51000	-2.76000	7.80000
4	0.01920	0.17010	0.50570	-m_x,m_y,-m_z	-1.51000	2.76000	7.80000
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5	0.76920	0.57990	0.75570	m_x,m_y,m_z	1.51000	2.76000	-7.80000
6	0.23080	0.42010	0.75570	-m_x,-m_y,m_z	-1.51000	-2.76000	-7.80000
7	0.48080	0.82990	0.00570	m_x,-m_y,-m_z	1.51000	-2.76000	7.80000
8	0.01920	0.67010	0.00570	-m_x,m_y,-m_z	-1.51000	2.76000	7.80000
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9	0.26920	0.07990	0.75570	m_x,m_y,m_z	1.51000	2.76000	-7.80000
10	0.73080	0.92010	0.75570	-m_x,-m_y,m_z	-1.51000	-2.76000	-7.80000
11	0.98080	0.32990	0.00570	m_x,-m_y,-m_z	1.51000	-2.76000	7.80000
12	0.51920	0.17010	0.00570	-m_x,m_y,-m_z	-1.51000	2.76000	7.80000
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13	0.26920	0.57990	0.25570	m_x,m_y,m_z	1.51000	2.76000	-7.80000
14	0.73080	0.42010	0.25570	-m_x,-m_y,m_z	-1.51000	-2.76000	-7.80000
15	0.98080	0.82990	0.50570	m_x,-m_y,-m_z	1.51000	-2.76000	7.80000
16	0.51920	0.67010	0.50570	-m_x,m_y,-m_z	-1.51000	2.76000	7.80000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.00000	0.44440
2	0.25000	0.25000	0.69440
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3	0.00000	0.50000	0.94440
4	0.25000	0.75000	0.19440
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5	0.50000	0.00000	0.94440
6	0.75000	0.25000	0.19440
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7	0.50000	0.50000	0.44440
8	0.75000	0.75000	0.69440

Set of atoms in the unit cell related by symmetry with the atom Ge2:

Atom	x	y	z
1	0.79770	0.06630	0.65400
2	0.20230	0.93370	0.65400
3	0.45230	0.31630	0.90400
4	0.04770	0.18370	0.90400
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5	0.79770	0.56630	0.15400
6	0.20230	0.43370	0.15400
7	0.45230	0.81630	0.40400
8	0.04770	0.68370	0.40400
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9	0.29770	0.06630	0.15400
10	0.70230	0.93370	0.15400
11	0.95230	0.31630	0.40400
12	0.54770	0.18370	0.40400
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13	0.29770	0.56630	0.65400
14	0.70230	0.43370	0.65400
15	0.95230	0.81630	0.90400
16	0.54770	0.68370	0.90400

Set of atoms in the unit cell related by symmetry with the atom Ge3:

Atom	x	y	z
1	0.74900	0.08580	0.83460
2	0.25100	0.91420	0.83460
3	0.50100	0.33580	0.08460
4	0.99900	0.16420	0.08460
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5	0.74900	0.58580	0.33460
6	0.25100	0.41420	0.33460
7	0.50100	0.83580	0.58460
8	0.99900	0.66420	0.58460
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9	0.24900	0.08580	0.33460
10	0.75100	0.91420	0.33460
11	0.00100	0.33580	0.58460
12	0.49900	0.16420	0.58460
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13	0.24900	0.58580	0.83460
14	0.75100	0.41420	0.83460
15	0.00100	0.83580	0.08460
16	0.49900	0.66420	0.08460

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1	Tb	0.00000	0.00000	0.00000	8	0,0,m_z	0.0	0.0	9.29(36)	9.29
Tb2	Tb	0.7692(12)	0.0799(5)	0.2557(12)	16	m_x,m_y,m_z	1.51(6)	2.76(9)	-7.8(19)	8.41

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1	1	1	primary	4

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