MAGNDATA - Collection of Magnetic Structures

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	{ m₀₁₀ \| 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	{ m₀₁₀ \| 1/2 1/2 1/2 }

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00810	0.22020	0.61680	8	m_x,m_y,m_z	2.79(10)	-0.80(15)	0.30(13)	2.75
Co2	Co	0.09240	0.21770	0.47530	8	m_x,m_y,m_z	-3.13(9)	0.42(17)	-1.42(15)	2.62
Co3	Co	0.00000	0.23990	0.25000	4	m_x,0,m_z	1.30(9)	0.0	0.11(14)	1.24

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Te1	Te	0.12860	0.31320	0.14090	8
Te2	Te	0.14900	0.29350	0.87820	8
Cl1	Cl	0.24200	0.32200	0.59780	8
O1	O	0.04120	0.16320	0.14270	8
O2	O	0.06600	0.49060	0.36900	8
O3	O	0.07200	0.38890	0.56900	8
O4	O	0.07880	0.01810	0.85550	8
O5	O	0.09880	0.14300	0.02290	8
O6	O	0.11530	0.34440	0.74900	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	0.00810	0.22020	0.61680	m_x,m_y,m_z	2.79000	-0.80000	0.30000
2	0.99190	0.77980	0.38320	-m_x,-m_y,-m_z	-2.79000	0.80000	-0.30000
3	0.99190	0.22020	0.88320	m_x,-m_y,m_z	2.79000	0.80000	0.30000
4	0.00810	0.77980	0.11680	-m_x,m_y,-m_z	-2.79000	-0.80000	-0.30000
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5	0.50810	0.72020	0.61680	m_x,m_y,m_z	2.79000	-0.80000	0.30000
6	0.49190	0.27980	0.38320	-m_x,-m_y,-m_z	-2.79000	0.80000	-0.30000
7	0.49190	0.72020	0.88320	m_x,-m_y,m_z	2.79000	0.80000	0.30000
8	0.50810	0.27980	0.11680	-m_x,m_y,-m_z	-2.79000	-0.80000	-0.30000

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	0.09240	0.21770	0.47530	m_x,m_y,m_z	-3.13000	0.42000	-1.42000
2	0.90760	0.78230	0.52470	-m_x,-m_y,-m_z	3.13000	-0.42000	1.42000
3	0.90760	0.21770	0.02470	m_x,-m_y,m_z	-3.13000	-0.42000	-1.42000
4	0.09240	0.78230	0.97530	-m_x,m_y,-m_z	3.13000	0.42000	1.42000
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5	0.59240	0.71770	0.47530	m_x,m_y,m_z	-3.13000	0.42000	-1.42000
6	0.40760	0.28230	0.52470	-m_x,-m_y,-m_z	3.13000	-0.42000	1.42000
7	0.40760	0.71770	0.02470	m_x,-m_y,m_z	-3.13000	-0.42000	-1.42000
8	0.59240	0.28230	0.97530	-m_x,m_y,-m_z	3.13000	0.42000	1.42000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.23990	0.25000	m_x,0,m_z	1.30000	0.00000	0.11000
2	0.00000	0.76010	0.75000	-m_x,0,-m_z	-1.30000	0.00000	-0.11000
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3	0.50000	0.73990	0.25000	m_x,0,m_z	1.30000	0.00000	0.11000
4	0.50000	0.26010	0.75000	-m_x,0,-m_z	-1.30000	0.00000	-0.11000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.12860	0.31320	0.14090
2	0.87140	0.68680	0.85910
3	0.87140	0.31320	0.35910
4	0.12860	0.68680	0.64090
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5	0.62860	0.81320	0.14090
6	0.37140	0.18680	0.85910
7	0.37140	0.81320	0.35910
8	0.62860	0.18680	0.64090

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

Atom	x	y	z
1	0.14900	0.29350	0.87820
2	0.85100	0.70650	0.12180
3	0.85100	0.29350	0.62180
4	0.14900	0.70650	0.37820
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5	0.64900	0.79350	0.87820
6	0.35100	0.20650	0.12180
7	0.35100	0.79350	0.62180
8	0.64900	0.20650	0.37820

Set of atoms in the unit cell related by symmetry with the atom Cl1:

Atom	x	y	z
1	0.24200	0.32200	0.59780
2	0.75800	0.67800	0.40220
3	0.75800	0.32200	0.90220
4	0.24200	0.67800	0.09780
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5	0.74200	0.82200	0.59780
6	0.25800	0.17800	0.40220
7	0.25800	0.82200	0.90220
8	0.74200	0.17800	0.09780

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

Atom	x	y	z
1	0.04120	0.16320	0.14270
2	0.95880	0.83680	0.85730
3	0.95880	0.16320	0.35730
4	0.04120	0.83680	0.64270
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5	0.54120	0.66320	0.14270
6	0.45880	0.33680	0.85730
7	0.45880	0.66320	0.35730
8	0.54120	0.33680	0.64270

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

Atom	x	y	z
1	0.06600	0.49060	0.36900
2	0.93400	0.50940	0.63100
3	0.93400	0.49060	0.13100
4	0.06600	0.50940	0.86900
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5	0.56600	0.99060	0.36900
6	0.43400	0.00940	0.63100
7	0.43400	0.99060	0.13100
8	0.56600	0.00940	0.86900

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

Atom	x	y	z
1	0.07200	0.38890	0.56900
2	0.92800	0.61110	0.43100
3	0.92800	0.38890	0.93100
4	0.07200	0.61110	0.06900
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5	0.57200	0.88890	0.56900
6	0.42800	0.11110	0.43100
7	0.42800	0.88890	0.93100
8	0.57200	0.11110	0.06900

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

Atom	x	y	z
1	0.07880	0.01810	0.85550
2	0.92120	0.98190	0.14450
3	0.92120	0.01810	0.64450
4	0.07880	0.98190	0.35550
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5	0.57880	0.51810	0.85550
6	0.42120	0.48190	0.14450
7	0.42120	0.51810	0.64450
8	0.57880	0.48190	0.35550

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.09880	0.14300	0.02290
2	0.90120	0.85700	0.97710
3	0.90120	0.14300	0.47710
4	0.09880	0.85700	0.52290
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5	0.59880	0.64300	0.02290
6	0.40120	0.35700	0.97710
7	0.40120	0.64300	0.47710
8	0.59880	0.35700	0.52290

Set of atoms in the unit cell related by symmetry with the atom O6:

Atom	x	y	z
1	0.11530	0.34440	0.74900
2	0.88470	0.65560	0.25100
3	0.88470	0.34440	0.75100
4	0.11530	0.65560	0.24900
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5	0.61530	0.84440	0.74900
6	0.38470	0.15560	0.25100
7	0.38470	0.84440	0.75100
8	0.61530	0.15560	0.24900

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00810	0.22020	0.61680	8	m_x,m_y,m_z	2.79(10)	-0.80(15)	0.30(13)	2.75
Co2	Co	0.09240	0.21770	0.47530	8	m_x,m_y,m_z	-3.13(9)	0.42(17)	-1.42(15)	2.62
Co3	Co	0.00000	0.23990	0.25000	4	m_x,0,m_z	1.30(9)	0.0	0.11(14)	1.24

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2-	1	1	primary	8

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