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	-y,x-y,z,+1	{ 3⁺₀₀₁ \| 0 }
3	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
4	-x+y,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
5	-y,-x,z+1/2,+1	{ m₁₁₀ \| 0 0 1/2 }
6	x,x-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
(1/3,2/3,2/3) + set click here to show and hide
7	x+1/3,y+2/3,z+2/3,+1	{ 1 \| 1/3 2/3 2/3 }
8	-y+1/3,x-y+2/3,z+2/3,+1	{ 3⁺₀₀₁ \| 1/3 2/3 2/3 }
9	-x+y+1/3,-x+2/3,z+2/3,+1	{ 3^-₀₀₁ \| 1/3 2/3 2/3 }
10	-x+y+1/3,y+2/3,z+1/6,+1	{ m₁₀₀ \| 1/3 2/3 1/6 }
11	-y+1/3,-x+2/3,z+1/6,+1	{ m₁₁₀ \| 1/3 2/3 1/6 }
12	x+1/3,x-y+2/3,z+1/6,+1	{ m₀₁₀ \| 1/3 2/3 1/6 }
(2/3,1/3,1/3) + set click here to show and hide
13	x+2/3,y+1/3,z+1/3,+1	{ 1 \| 2/3 1/3 1/3 }
14	-y+2/3,x-y+1/3,z+1/3,+1	{ 3⁺₀₀₁ \| 2/3 1/3 1/3 }
15	-x+y+2/3,-x+1/3,z+1/3,+1	{ 3^-₀₀₁ \| 2/3 1/3 1/3 }
16	-x+y+2/3,y+1/3,z+5/6,+1	{ m₁₀₀ \| 2/3 1/3 5/6 }
17	-y+2/3,-x+1/3,z+5/6,+1	{ m₁₁₀ \| 2/3 1/3 5/6 }
18	x+2/3,x-y+1/3,z+5/6,+1	{ m₀₁₀ \| 2/3 1/3 5/6 }

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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	0.00000	0.00000	6	0,0,m_z	0.0	0.0	1.93(3)	1.93
Co1	Co	0.00000	0.00000	0.25000	1	0,0,m_z	0.0	0.0	0.66(3)	0.66

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ca1	Ca	0.36210	0.00000	0.25000	18
O1_1	O	0.17790	0.02470	0.10800	18
O1_2	O	0.02470	0.17790	0.39200	18

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	0.00000	0.00000	0,0,m_z	0.00000	0.00000	1.93000
2	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-1.93000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667	0,0,m_z	0.00000	0.00000	1.93000
4	0.33333	0.66667	0.16667	0,0,-m_z	0.00000	0.00000	-1.93000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.33333	0,0,m_z	0.00000	0.00000	1.93000
6	0.66667	0.33333	0.83333	0,0,-m_z	0.00000	0.00000	-1.93000

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

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ca1:

Atom	x	y	z
1	0.36210	0.00000	0.25000
2	0.00000	0.36210	0.25000
3	0.63790	0.63790	0.25000
4	0.63790	0.00000	0.75000
5	0.00000	0.63790	0.75000
6	0.36210	0.36210	0.75000
(1/3,2/3,2/3) + set click here to show and hide
7	0.69543	0.66667	0.91667
8	0.33333	0.02877	0.91667
9	0.97123	0.30457	0.91667
10	0.97123	0.66667	0.41667
11	0.33333	0.30457	0.41667
12	0.69543	0.02877	0.41667
(2/3,1/3,1/3) + set click here to show and hide
13	0.02877	0.33333	0.58333
14	0.66667	0.69543	0.58333
15	0.30457	0.97123	0.58333
16	0.30457	0.33333	0.08333
17	0.66667	0.97123	0.08333
18	0.02877	0.69543	0.08333

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

Atom	x	y	z
1	0.17790	0.02470	0.10800
2	0.97530	0.15320	0.10800
3	0.84680	0.82210	0.10800
4	0.84680	0.02470	0.60800
5	0.97530	0.82210	0.60800
6	0.17790	0.15320	0.60800
(1/3,2/3,2/3) + set click here to show and hide
7	0.51123	0.69137	0.77467
8	0.30863	0.81987	0.77467
9	0.18013	0.48877	0.77467
10	0.18013	0.69137	0.27467
11	0.30863	0.48877	0.27467
12	0.51123	0.81987	0.27467
(2/3,1/3,1/3) + set click here to show and hide
13	0.84457	0.35803	0.44133
14	0.64197	0.48653	0.44133
15	0.51347	0.15543	0.44133
16	0.51347	0.35803	0.94133
17	0.64197	0.15543	0.94133
18	0.84457	0.48653	0.94133

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

Atom	x	y	z
1	0.02470	0.17790	0.39200
2	0.82210	0.84680	0.39200
3	0.15320	0.97530	0.39200
4	0.15320	0.17790	0.89200
5	0.82210	0.97530	0.89200
6	0.02470	0.84680	0.89200
(1/3,2/3,2/3) + set click here to show and hide
7	0.35803	0.84457	0.05867
8	0.15543	0.51347	0.05867
9	0.48653	0.64197	0.05867
10	0.48653	0.84457	0.55867
11	0.15543	0.64197	0.55867
12	0.35803	0.51347	0.55867
(2/3,1/3,1/3) + set click here to show and hide
13	0.69137	0.51123	0.72533
14	0.48877	0.18013	0.72533
15	0.81987	0.30863	0.72533
16	0.81987	0.51123	0.22533
17	0.48877	0.30863	0.22533
18	0.69137	0.18013	0.22533

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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	0.00000	0.00000	6	0,0,m_z	0.0	0.0	1.93(3)	1.93
Co1	Co	0.00000	0.00000	0.25000	1	0,0,m_z	0.0	0.0	0.66(3)	0.66

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