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	{ -1 \| 0 }
3	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
4	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
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5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
7	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
8	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.33333	0.99809	8	m_x,m_y,m_z	-3.42(9)	1.50(8)	0.95(3)	3.85
Mn2	Mn	0.00000	0.33333	0.75000	4	m_x,0,m_z	4.13(8)	0.0	-0.73(3)	4.19

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Si1	Si	0.00000	0.00000	0.58190	8
Te1_1	Te	0.82468	0.17075	0.62831	8
Te1_2	Te	0.34378	0.00229	0.62831	8
Te1_3	Te	0.33154	0.32697	0.62831	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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.33333	0.99809	m_x,m_y,m_z	-3.42000	1.50000	0.95000
2	0.00000	0.66667	0.00191	m_x,m_y,m_z	-3.42000	1.50000	0.95000
3	0.00000	0.33333	0.50191	m_x,-m_y,m_z	-3.42000	-1.50000	0.95000
4	0.00000	0.66667	0.49809	m_x,-m_y,m_z	-3.42000	-1.50000	0.95000
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5	0.50000	0.83333	0.99809	m_x,m_y,m_z	-3.42000	1.50000	0.95000
6	0.50000	0.16667	0.00191	m_x,m_y,m_z	-3.42000	1.50000	0.95000
7	0.50000	0.83333	0.50191	m_x,-m_y,m_z	-3.42000	-1.50000	0.95000
8	0.50000	0.16667	0.49809	m_x,-m_y,m_z	-3.42000	-1.50000	0.95000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.33333	0.75000	m_x,0,m_z	4.13000	0.00000	-0.73000
2	0.00000	0.66667	0.25000	m_x,0,m_z	4.13000	0.00000	-0.73000
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3	0.50000	0.83333	0.75000	m_x,0,m_z	4.13000	0.00000	-0.73000
4	0.50000	0.16667	0.25000	m_x,0,m_z	4.13000	0.00000	-0.73000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Si1:

Atom	x	y	z
1	0.00000	0.00000	0.58190
2	0.00000	0.00000	0.41810
3	0.00000	0.00000	0.91810
4	0.00000	0.00000	0.08190
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5	0.50000	0.50000	0.58190
6	0.50000	0.50000	0.41810
7	0.50000	0.50000	0.91810
8	0.50000	0.50000	0.08190

Set of atoms in the unit cell related by symmetry with the atom Te1_1:

Atom	x	y	z
1	0.82468	0.17075	0.62831
2	0.17532	0.82925	0.37169
3	0.17532	0.17075	0.87169
4	0.82468	0.82925	0.12831
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5	0.32468	0.67075	0.62831
6	0.67532	0.32925	0.37169
7	0.67532	0.67075	0.87169
8	0.32468	0.32925	0.12831

Set of atoms in the unit cell related by symmetry with the atom Te1_2:

Atom	x	y	z
1	0.34378	0.00229	0.62831
2	0.65622	0.99771	0.37169
3	0.65622	0.00229	0.87169
4	0.34378	0.99771	0.12831
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5	0.84378	0.50229	0.62831
6	0.15622	0.49771	0.37169
7	0.15622	0.50229	0.87169
8	0.84378	0.49771	0.12831

Set of atoms in the unit cell related by symmetry with the atom Te1_3:

Atom	x	y	z
1	0.33154	0.32697	0.62831
2	0.66846	0.67303	0.37169
3	0.66846	0.32697	0.87169
4	0.33154	0.67303	0.12831
(1/2,1/2,0) + set click here to show and hide
5	0.83154	0.82697	0.62831
6	0.16846	0.17303	0.37169
7	0.16846	0.82697	0.87169
8	0.83154	0.17303	0.12831

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.33333	0.99809	8	m_x,m_y,m_z	-3.42(9)	1.50(8)	0.95(3)	3.85
Mn2	Mn	0.00000	0.33333	0.75000	4	m_x,0,m_z	4.13(8)	0.0	-0.73(3)	4.19

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