MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x-y,-y,-z,+1	{ 2₁₀₀ \| 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-x+y,y,z,+1	{ m₁₀₀ \| 0 }
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5	x+2/3,y+1/3,z+1/3,+1	{ 1 \| 2/3 1/3 1/3 }
6	x-y+2/3,-y+1/3,-z+1/3,+1	{ 2₁₀₀ \| 2/3 1/3 1/3 }
7	-x+2/3,-y+1/3,-z+1/3,+1	{ -1 \| 2/3 1/3 1/3 }
8	-x+y+2/3,y+1/3,z+1/3,+1	{ m₁₀₀ \| 2/3 1/3 1/3 }
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9	x+1/3,y+2/3,z+2/3,+1	{ 1 \| 1/3 2/3 2/3 }
10	x-y+1/3,-y+2/3,-z+2/3,+1	{ 2₁₀₀ \| 1/3 2/3 2/3 }
11	-x+1/3,-y+2/3,-z+2/3,+1	{ -1 \| 1/3 2/3 2/3 }
12	-x+y+1/3,y+2/3,z+2/3,+1	{ m₁₀₀ \| 1/3 2/3 2/3 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x-y,-y,-z,+1	2₁₀₀
3	-x,-y,-z,+1	-1
4	-x+y,y,z,+1	m₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Tb1	Tb	0.0000	0.0000	0.3415(1)	6	m_x,0,0	-4.65	4.65
Fe1	Fe	0.0000	0.0000	0.0967(1)	6	m_x,0,0	1.26	1.26
Fe2_1	Fe	0.5000	0.0000	0.5000	3	m_x,0,0	1.26	1.26
Fe2_2	Fe	0.0000	0.5000	0.5000	6	m_x,m_y,m_z	1.26	1.26
Fe3_1	Fe	0.2927(1)	0.0000	0.0000	6	m_x,0,0	1.26	1.26
Fe3_2	Fe	0.0000	0.2927(1)	0.0000	12	m_x,m_y,m_z	1.26	1.26
Fe4_1	Fe	0.1677(1)	0.8323(1)	0.4894(1)	12	m_x,m_y,m_z	1.26	1.26
Fe4_2	Fe	0.1677(1)	0.3354(2)	0.4894(1)	6	m_x,0,0	1.26	1.26

[Show all atoms in unit cell and their moment relations]

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	0.34150	m_x,0,0	-4.65000	0.00000	0.00000
2	0.00000	0.00000	0.65850	m_x,0,0	-4.65000	0.00000	0.00000
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3	0.66667	0.33333	0.67483	m_x,0,0	-4.65000	0.00000	0.00000
4	0.66667	0.33333	0.99183	m_x,0,0	-4.65000	0.00000	0.00000
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5	0.33333	0.66667	0.00817	m_x,0,0	-4.65000	0.00000	0.00000
6	0.33333	0.66667	0.32517	m_x,0,0	-4.65000	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	0.00000	0.00000	0.09670	m_x,0,0	1.26000	0.00000	0.00000
2	0.00000	0.00000	0.90330	m_x,0,0	1.26000	0.00000	0.00000
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3	0.66667	0.33333	0.43003	m_x,0,0	1.26000	0.00000	0.00000
4	0.66667	0.33333	0.23663	m_x,0,0	1.26000	0.00000	0.00000
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5	0.33333	0.66667	0.76337	m_x,0,0	1.26000	0.00000	0.00000
6	0.33333	0.66667	0.56997	m_x,0,0	1.26000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.50000	m_x,0,0	1.26000	0.00000	0.00000
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2	0.16667	0.33333	0.83333	m_x,0,0	1.26000	0.00000	0.00000
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3	0.83333	0.66667	0.16667	m_x,0,0	1.26000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.50000	m_x,m_y,m_z	1.26000	0.00000	0.00000
2	0.50000	0.50000	0.50000	m_x-m_y,-m_y,-m_z	1.26000	0.00000	0.00000
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3	0.66667	0.83333	0.83333	m_x,m_y,m_z	1.26000	0.00000	0.00000
4	0.16667	0.83333	0.83333	m_x-m_y,-m_y,-m_z	1.26000	0.00000	0.00000
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5	0.33333	0.16667	0.16667	m_x,m_y,m_z	1.26000	0.00000	0.00000
6	0.83333	0.16667	0.16667	m_x-m_y,-m_y,-m_z	1.26000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.29270	0.00000	0.00000	m_x,0,0	1.26000	0.00000	0.00000
2	0.70730	0.00000	0.00000	m_x,0,0	1.26000	0.00000	0.00000
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3	0.95937	0.33333	0.33333	m_x,0,0	1.26000	0.00000	0.00000
4	0.37397	0.33333	0.33333	m_x,0,0	1.26000	0.00000	0.00000
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5	0.62603	0.66667	0.66667	m_x,0,0	1.26000	0.00000	0.00000
6	0.04063	0.66667	0.66667	m_x,0,0	1.26000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.29270	0.00000	m_x,m_y,m_z	1.26000	0.00000	0.00000
2	0.70730	0.70730	0.00000	m_x-m_y,-m_y,-m_z	1.26000	0.00000	0.00000
3	0.00000	0.70730	0.00000	m_x,m_y,m_z	1.26000	0.00000	0.00000
4	0.29270	0.29270	0.00000	m_x-m_y,-m_y,-m_z	1.26000	0.00000	0.00000
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5	0.66667	0.62603	0.33333	m_x,m_y,m_z	1.26000	0.00000	0.00000
6	0.37397	0.04063	0.33333	m_x-m_y,-m_y,-m_z	1.26000	0.00000	0.00000
7	0.66667	0.04063	0.33333	m_x,m_y,m_z	1.26000	0.00000	0.00000
8	0.95937	0.62603	0.33333	m_x-m_y,-m_y,-m_z	1.26000	0.00000	0.00000
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9	0.33333	0.95937	0.66667	m_x,m_y,m_z	1.26000	0.00000	0.00000
10	0.04063	0.37397	0.66667	m_x-m_y,-m_y,-m_z	1.26000	0.00000	0.00000
11	0.33333	0.37397	0.66667	m_x,m_y,m_z	1.26000	0.00000	0.00000
12	0.62603	0.95937	0.66667	m_x-m_y,-m_y,-m_z	1.26000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16770	0.83230	0.48940	m_x,m_y,m_z	1.26000	0.00000	0.00000
2	0.33540	0.16770	0.51060	m_x-m_y,-m_y,-m_z	1.26000	0.00000	0.00000
3	0.83230	0.16770	0.51060	m_x,m_y,m_z	1.26000	0.00000	0.00000
4	0.66460	0.83230	0.48940	m_x-m_y,-m_y,-m_z	1.26000	0.00000	0.00000
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5	0.83437	0.16563	0.82273	m_x,m_y,m_z	1.26000	0.00000	0.00000
6	0.00207	0.50103	0.84393	m_x-m_y,-m_y,-m_z	1.26000	0.00000	0.00000
7	0.49897	0.50103	0.84393	m_x,m_y,m_z	1.26000	0.00000	0.00000
8	0.33127	0.16563	0.82273	m_x-m_y,-m_y,-m_z	1.26000	0.00000	0.00000
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9	0.50103	0.49897	0.15607	m_x,m_y,m_z	1.26000	0.00000	0.00000
10	0.66873	0.83437	0.17727	m_x-m_y,-m_y,-m_z	1.26000	0.00000	0.00000
11	0.16563	0.83437	0.17727	m_x,m_y,m_z	1.26000	0.00000	0.00000
12	0.99793	0.49897	0.15607	m_x-m_y,-m_y,-m_z	1.26000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16770	0.33540	0.48940	m_x,0,0	1.26000	0.00000	0.00000
2	0.83230	0.66460	0.51060	m_x,0,0	1.26000	0.00000	0.00000
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3	0.83437	0.66873	0.82273	m_x,0,0	1.26000	0.00000	0.00000
4	0.49897	0.99793	0.84393	m_x,0,0	1.26000	0.00000	0.00000
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5	0.50103	0.00207	0.15607	m_x,0,0	1.26000	0.00000	0.00000
6	0.16563	0.33127	0.17727	m_x,0,0	1.26000	0.00000	0.00000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Tb1	Tb	0.0000	0.0000	0.3415(1)	6	m_x,0,0	-4.65	4.65
Fe1	Fe	0.0000	0.0000	0.0967(1)	6	m_x,0,0	1.26	1.26
Fe2_1	Fe	0.5000	0.0000	0.5000	3	m_x,0,0	1.26	1.26
Fe2_2	Fe	0.0000	0.5000	0.5000	6	m_x,m_y,m_z	1.26	1.26
Fe3_1	Fe	0.2927(1)	0.0000	0.0000	6	m_x,0,0	1.26	1.26
Fe3_2	Fe	0.0000	0.2927(1)	0.0000	12	m_x,m_y,m_z	1.26	1.26
Fe4_1	Fe	0.1677(1)	0.8323(1)	0.4894(1)	12	m_x,m_y,m_z	1.26	1.26
Fe4_2	Fe	0.1677(1)	0.3354(2)	0.4894(1)	6	m_x,0,0	1.26	1.26

[Show all magnetic atoms in unit cell and their moment relations]

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given: