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+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
(1/2,1/2,0)' + set click here to show and hide
5	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
6	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
7	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
8	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 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	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.26548	0.32102	0.14358	8	m_x,m_y,m_z	-1.7	-0.58	-0.9	1.89

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Te1	Te	0.00000	0.17815	0.25000	4
Te2	Te	0.36536	0.31710	0.44290	8
O1	O	0.41938	0.44782	0.14580	8
O2	O	0.38831	0.64814	0.36785	8
O3	O	0.29974	0.15246	0.30106	8
O4	O	0.23364	0.49329	0.47361	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 Ni1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.26548	0.32102	0.14358	m_x,m_y,m_z	-1.70000	-0.58000	-0.90000
2	0.23452	0.82102	0.35642	-m_x,m_y,-m_z	1.70000	-0.58000	0.90000
3	0.73452	0.67898	0.85642	m_x,m_y,m_z	-1.70000	-0.58000	-0.90000
4	0.76548	0.17898	0.64358	-m_x,m_y,-m_z	1.70000	-0.58000	0.90000
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5	0.76548	0.82102	0.14358	-m_x,-m_y,-m_z	1.70000	0.58000	0.90000
6	0.73452	0.32102	0.35642	m_x,-m_y,m_z	-1.70000	0.58000	-0.90000
7	0.23452	0.17898	0.85642	-m_x,-m_y,-m_z	1.70000	0.58000	0.90000
8	0.26548	0.67898	0.64358	m_x,-m_y,m_z	-1.70000	0.58000	-0.90000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Te1:

Atom	x	y	z
1	0.00000	0.17815	0.25000
2	0.00000	0.82185	0.75000
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3	0.50000	0.67815	0.25000
4	0.50000	0.32185	0.75000

Set of atoms in the unit cell related by symmetry with the atom Te2:

Atom	x	y	z
1	0.36536	0.31710	0.44290
2	0.13464	0.81710	0.05710
3	0.63464	0.68290	0.55710
4	0.86536	0.18290	0.94290
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5	0.86536	0.81710	0.44290
6	0.63464	0.31710	0.05710
7	0.13464	0.18290	0.55710
8	0.36536	0.68290	0.94290

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

Atom	x	y	z
1	0.41938	0.44782	0.14580
2	0.08062	0.94782	0.35420
3	0.58062	0.55218	0.85420
4	0.91938	0.05218	0.64580
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5	0.91938	0.94782	0.14580
6	0.58062	0.44782	0.35420
7	0.08062	0.05218	0.85420
8	0.41938	0.55218	0.64580

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.38831	0.64814	0.36785
2	0.11169	0.14814	0.13215
3	0.61169	0.35186	0.63215
4	0.88831	0.85186	0.86785
(1/2,1/2,0)' + set click here to show and hide
5	0.88831	0.14814	0.36785
6	0.61169	0.64814	0.13215
7	0.11169	0.85186	0.63215
8	0.38831	0.35186	0.86785

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.29974	0.15246	0.30106
2	0.20026	0.65246	0.19894
3	0.70026	0.84754	0.69894
4	0.79974	0.34754	0.80106
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5	0.79974	0.65246	0.30106
6	0.70026	0.15246	0.19894
7	0.20026	0.34754	0.69894
8	0.29974	0.84754	0.80106

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.23364	0.49329	0.47361
2	0.26636	0.99329	0.02639
3	0.76636	0.50671	0.52639
4	0.73364	0.00671	0.97361
(1/2,1/2,0)' + set click here to show and hide
5	0.73364	0.99329	0.47361
6	0.76636	0.49329	0.02639
7	0.26636	0.00671	0.52639
8	0.23364	0.50671	0.97361

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.26548	0.32102	0.14358	8	m_x,m_y,m_z	-1.7	-0.58	-0.9	1.89

label	dim. small irrep	dim. full irrep	action	number of modes
mY2+	1	1	primary	3

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