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+1/2,2x-y,-z+1/2,+1	{ 2₁₁₀ \| 1/2 0 1/2 }
3	-x+1/2,-2x+y,-z,+1	{ 2₀₁₀ \| 1/2 0 0 }
4	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
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5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	x,2x-y,-z+1/2,-1	{ 2'₁₁₀ \| 0 0 1/2 }
7	-x,-2x+y,-z,-1	{ 2'₀₁₀ \| 0 }
8	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 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,2x-y,-z,+1	2₁₁₀
3	-x,-2x+y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
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5	x,y,z,-1	1'
6	x,2x-y,-z,-1	2'₁₁₀
7	-x,-2x+y,-z,-1	2'₀₁₀
8	-x,-y,z,-1	2'₀₀₁

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.25000	1.	4	0,m_y,m_z	0.0	2.95(3)	0.0	2.95
Co2	Co	0.16667	0.66667	0.75000	1.	4	0,m_y,m_z	0.0	-2.5(3)	0.0	2.50

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Te1	Te	0.16667	0.66667	0.25000	1.	4
O1_1	O	0.32900	0.98300	0.34690	1.	8
O1_2	O	0.50850	0.67500	0.34690	1.	8
O1_3	O	0.16250	0.34200	0.34690	1.	8
Na1_1	Na	0.09500	0.62000	0.97000	0.082	8
Na1_2	Na	0.69000	0.57000	0.97000	0.082	8
Na1_3	Na	0.21500	0.81000	0.97000	0.082	8
Na2	Na	0.00000	0.00000	0.00000	0.13	4
Na3_1	Na	0.33500	0.05000	0.99000	0.24	8
Na3_2	Na	0.97500	0.62000	0.99000	0.24	8
Na3_3	Na	0.69000	0.33000	0.99000	0.24	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 Co1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	0,m_y,m_z	0.00000	2.95000	0.00000
2	0.50000	0.00000	0.75000	0,m_y,-m_z	0.00000	2.95000	0.00000
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3	0.50000	0.00000	0.25000	0,-m_y,-m_z	0.00000	-2.95000	0.00000
4	0.00000	0.00000	0.75000	0,-m_y,m_z	0.00000	-2.95000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16667	0.66667	0.75000	0,m_y,m_z	0.00000	-2.50000	0.00000
2	0.33333	0.33333	0.25000	0,m_y,-m_z	0.00000	-2.50000	0.00000
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3	0.66667	0.66667	0.75000	0,-m_y,-m_z	0.00000	2.50000	0.00000
4	0.83333	0.33333	0.25000	0,-m_y,m_z	0.00000	2.50000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.16667	0.66667	0.25000
2	0.33333	0.33333	0.75000
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3	0.66667	0.66667	0.25000
4	0.83333	0.33333	0.75000

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.32900	0.98300	0.34690
2	0.82900	0.67500	0.15310
3	0.17100	0.32500	0.65310
4	0.67100	0.01700	0.84690
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5	0.82900	0.98300	0.34690
6	0.32900	0.67500	0.15310
7	0.67100	0.32500	0.65310
8	0.17100	0.01700	0.84690

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.50850	0.67500	0.34690
2	0.00850	0.34200	0.15310
3	0.99150	0.65800	0.65310
4	0.49150	0.32500	0.84690
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5	0.00850	0.67500	0.34690
6	0.50850	0.34200	0.15310
7	0.49150	0.65800	0.65310
8	0.99150	0.32500	0.84690

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.16250	0.34200	0.34690
2	0.66250	0.98300	0.15310
3	0.33750	0.01700	0.65310
4	0.83750	0.65800	0.84690
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5	0.66250	0.34200	0.34690
6	0.16250	0.98300	0.15310
7	0.83750	0.01700	0.65310
8	0.33750	0.65800	0.84690

Set of atoms in the unit cell related by symmetry with the atom Na1_1:

Atom	x	y	z
1	0.09500	0.62000	0.97000
2	0.59500	0.57000	0.53000
3	0.40500	0.43000	0.03000
4	0.90500	0.38000	0.47000
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5	0.59500	0.62000	0.97000
6	0.09500	0.57000	0.53000
7	0.90500	0.43000	0.03000
8	0.40500	0.38000	0.47000

Set of atoms in the unit cell related by symmetry with the atom Na1_2:

Atom	x	y	z
1	0.69000	0.57000	0.97000
2	0.19000	0.81000	0.53000
3	0.81000	0.19000	0.03000
4	0.31000	0.43000	0.47000
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5	0.19000	0.57000	0.97000
6	0.69000	0.81000	0.53000
7	0.31000	0.19000	0.03000
8	0.81000	0.43000	0.47000

Set of atoms in the unit cell related by symmetry with the atom Na1_3:

Atom	x	y	z
1	0.21500	0.81000	0.97000
2	0.71500	0.62000	0.53000
3	0.28500	0.38000	0.03000
4	0.78500	0.19000	0.47000
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5	0.71500	0.81000	0.97000
6	0.21500	0.62000	0.53000
7	0.78500	0.38000	0.03000
8	0.28500	0.19000	0.47000

Set of atoms in the unit cell related by symmetry with the atom Na2:

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.50000	0.00000	0.50000
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3	0.50000	0.00000	0.00000
4	0.00000	0.00000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Na3_1:

Atom	x	y	z
1	0.33500	0.05000	0.99000
2	0.83500	0.62000	0.51000
3	0.16500	0.38000	0.01000
4	0.66500	0.95000	0.49000
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5	0.83500	0.05000	0.99000
6	0.33500	0.62000	0.51000
7	0.66500	0.38000	0.01000
8	0.16500	0.95000	0.49000

Set of atoms in the unit cell related by symmetry with the atom Na3_2:

Atom	x	y	z
1	0.97500	0.62000	0.99000
2	0.47500	0.33000	0.51000
3	0.52500	0.67000	0.01000
4	0.02500	0.38000	0.49000
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5	0.47500	0.62000	0.99000
6	0.97500	0.33000	0.51000
7	0.02500	0.67000	0.01000
8	0.52500	0.38000	0.49000

Set of atoms in the unit cell related by symmetry with the atom Na3_3:

Atom	x	y	z
1	0.69000	0.33000	0.99000
2	0.19000	0.05000	0.51000
3	0.81000	0.95000	0.01000
4	0.31000	0.67000	0.49000
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5	0.19000	0.33000	0.99000
6	0.69000	0.05000	0.51000
7	0.31000	0.95000	0.01000
8	0.81000	0.67000	0.49000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.25000	4	0,m_y,m_z	0.0	2.95(3)	0.0	2.95
Co2	Co	0.16667	0.66667	0.75000	4	0,m_y,m_z	0.0	-2.5(3)	0.0	2.50

label	dim. small irrep	dim. full irrep	action	number of modes
mM2	1	3	primary	4

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