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 }
(1/2,1/2,1/2) + set click here to show and hide
3	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
4	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
(1/2,0,0)' + set click here to show and hide
5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x+1/2,-y,z,-1	{ 2'₀₀₁ \| 1/2 0 0 }
(0,1/2,1/2)' + set click here to show and hide
7	x,y+1/2,z+1/2,-1	{ 1' \| 0 1/2 1/2 }
8	-x,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 0 1/2 1/2 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,-y,z,-1	2'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni	Ni	0.12500	0.62107	0.85921	8	m_x,m_y,m_z	-0.4(1)	1.15(5)	1.3(1)	1.78

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba	Ba	0.12500	0.20756	0.87183	8
Te1	Te	0.12500	0.42237	0.61242	8
Te2	Te	0.12500	0.42929	0.13113	8
O1	O	0.12500	0.36331	0.36570	8
O2_1	O	0.49630	0.35573	0.06083	8
O2_2	O	0.74630	0.64427	0.06083	8
O3	O	0.12500	0.48752	0.83636	8
O4_1	O	0.00376	0.34484	0.67939	8
O4_2	O	0.25376	0.65516	0.67939	8
O5_1	O	0.00000	0.00000	0.99256	4
O5_2	O	0.25000	0.00000	0.99256	4

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 Ni:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12500	0.62107	0.85921	m_x,m_y,m_z	-0.40000	1.15000	1.30000
2	0.87500	0.37893	0.85921	-m_x,-m_y,m_z	0.40000	-1.15000	1.30000
(1/2,1/2,1/2) + set click here to show and hide
3	0.62500	0.12107	0.35921	m_x,m_y,m_z	-0.40000	1.15000	1.30000
4	0.37500	0.87893	0.35921	-m_x,-m_y,m_z	0.40000	-1.15000	1.30000
(1/2,0,0)' + set click here to show and hide
5	0.62500	0.62107	0.85921	-m_x,-m_y,-m_z	0.40000	-1.15000	-1.30000
6	0.37500	0.37893	0.85921	m_x,m_y,-m_z	-0.40000	1.15000	-1.30000
(0,1/2,1/2)' + set click here to show and hide
7	0.12500	0.12107	0.35921	-m_x,-m_y,-m_z	0.40000	-1.15000	-1.30000
8	0.87500	0.87893	0.35921	m_x,m_y,-m_z	-0.40000	1.15000	-1.30000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.12500	0.20756	0.87183
2	0.87500	0.79244	0.87183
(1/2,1/2,1/2) + set click here to show and hide
3	0.62500	0.70756	0.37183
4	0.37500	0.29244	0.37183
(1/2,0,0)' + set click here to show and hide
5	0.62500	0.20756	0.87183
6	0.37500	0.79244	0.87183
(0,1/2,1/2)' + set click here to show and hide
7	0.12500	0.70756	0.37183
8	0.87500	0.29244	0.37183

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

Atom	x	y	z
1	0.12500	0.42237	0.61242
2	0.87500	0.57763	0.61242
(1/2,1/2,1/2) + set click here to show and hide
3	0.62500	0.92237	0.11242
4	0.37500	0.07763	0.11242
(1/2,0,0)' + set click here to show and hide
5	0.62500	0.42237	0.61242
6	0.37500	0.57763	0.61242
(0,1/2,1/2)' + set click here to show and hide
7	0.12500	0.92237	0.11242
8	0.87500	0.07763	0.11242

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

Atom	x	y	z
1	0.12500	0.42929	0.13113
2	0.87500	0.57071	0.13113
(1/2,1/2,1/2) + set click here to show and hide
3	0.62500	0.92929	0.63113
4	0.37500	0.07071	0.63113
(1/2,0,0)' + set click here to show and hide
5	0.62500	0.42929	0.13113
6	0.37500	0.57071	0.13113
(0,1/2,1/2)' + set click here to show and hide
7	0.12500	0.92929	0.63113
8	0.87500	0.07071	0.63113

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

Atom	x	y	z
1	0.12500	0.36331	0.36570
2	0.87500	0.63669	0.36570
(1/2,1/2,1/2) + set click here to show and hide
3	0.62500	0.86331	0.86570
4	0.37500	0.13669	0.86570
(1/2,0,0)' + set click here to show and hide
5	0.62500	0.36331	0.36570
6	0.37500	0.63669	0.36570
(0,1/2,1/2)' + set click here to show and hide
7	0.12500	0.86331	0.86570
8	0.87500	0.13669	0.86570

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

Atom	x	y	z
1	0.49630	0.35573	0.06083
2	0.50370	0.64427	0.06083
(1/2,1/2,1/2) + set click here to show and hide
3	0.99630	0.85573	0.56083
4	0.00370	0.14427	0.56083
(1/2,0,0)' + set click here to show and hide
5	0.99630	0.35573	0.06083
6	0.00370	0.64427	0.06083
(0,1/2,1/2)' + set click here to show and hide
7	0.49630	0.85573	0.56083
8	0.50370	0.14427	0.56083

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

Atom	x	y	z
1	0.74630	0.64427	0.06083
2	0.25370	0.35573	0.06083
(1/2,1/2,1/2) + set click here to show and hide
3	0.24630	0.14427	0.56083
4	0.75370	0.85573	0.56083
(1/2,0,0)' + set click here to show and hide
5	0.24630	0.64427	0.06083
6	0.75370	0.35573	0.06083
(0,1/2,1/2)' + set click here to show and hide
7	0.74630	0.14427	0.56083
8	0.25370	0.85573	0.56083

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

Atom	x	y	z
1	0.12500	0.48752	0.83636
2	0.87500	0.51248	0.83636
(1/2,1/2,1/2) + set click here to show and hide
3	0.62500	0.98752	0.33636
4	0.37500	0.01248	0.33636
(1/2,0,0)' + set click here to show and hide
5	0.62500	0.48752	0.83636
6	0.37500	0.51248	0.83636
(0,1/2,1/2)' + set click here to show and hide
7	0.12500	0.98752	0.33636
8	0.87500	0.01248	0.33636

Set of atoms in the unit cell related by symmetry with the atom O4_1:

Atom	x	y	z
1	0.00376	0.34484	0.67939
2	0.99624	0.65516	0.67939
(1/2,1/2,1/2) + set click here to show and hide
3	0.50376	0.84484	0.17939
4	0.49624	0.15516	0.17939
(1/2,0,0)' + set click here to show and hide
5	0.50376	0.34484	0.67939
6	0.49624	0.65516	0.67939
(0,1/2,1/2)' + set click here to show and hide
7	0.00376	0.84484	0.17939
8	0.99624	0.15516	0.17939

Set of atoms in the unit cell related by symmetry with the atom O4_2:

Atom	x	y	z
1	0.25376	0.65516	0.67939
2	0.74624	0.34484	0.67939
(1/2,1/2,1/2) + set click here to show and hide
3	0.75376	0.15516	0.17939
4	0.24624	0.84484	0.17939
(1/2,0,0)' + set click here to show and hide
5	0.75376	0.65516	0.67939
6	0.24624	0.34484	0.67939
(0,1/2,1/2)' + set click here to show and hide
7	0.25376	0.15516	0.17939
8	0.74624	0.84484	0.17939

Set of atoms in the unit cell related by symmetry with the atom O5_1:

Atom	x	y	z
1	0.00000	0.00000	0.99256
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.49256
(1/2,0,0)' + set click here to show and hide
3	0.50000	0.00000	0.99256
(0,1/2,1/2)' + set click here to show and hide
4	0.00000	0.50000	0.49256

Set of atoms in the unit cell related by symmetry with the atom O5_2:

Atom	x	y	z
1	0.25000	0.00000	0.99256
(1/2,1/2,1/2) + set click here to show and hide
2	0.75000	0.50000	0.49256
(1/2,0,0)' + set click here to show and hide
3	0.75000	0.00000	0.99256
(0,1/2,1/2)' + set click here to show and hide
4	0.25000	0.50000	0.49256

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni	Ni	0.12500	0.62107	0.85921	8	m_x,m_y,m_z	-0.4(1)	1.15(5)	1.3(1)	1.78

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mT1	2	2	special	primary	3

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