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\|
Mn	Mn	0.00000	0.00000	0.00000	6	0,0,m_z	0.0	0.0	1.93	1.93
Co	Co	0.00000	0.00000	0.25000	6	0,0,m_z	0.0	0.0	0.66	0.66

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ca	Ca	0.36210	0.00000	0.25000	18
O1	O	0.17790	0.02470	0.10800	18
O1_2	O	0.35803	0.84457	0.05867	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 Mn:

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 Co:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	0,0,m_z	0.00000	0.00000	0.66000
2	0.00000	0.00000	0.75000	0,0,-m_z	0.00000	0.00000	-0.66000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.91667	0,0,m_z	0.00000	0.00000	0.66000
4	0.33333	0.66667	0.41667	0,0,-m_z	0.00000	0.00000	-0.66000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.58333	0,0,m_z	0.00000	0.00000	0.66000
6	0.66667	0.33333	0.08333	0,0,-m_z	0.00000	0.00000	-0.66000

Non-magnetic atoms:

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

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:

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	0.35803	0.84457	0.05867
2	0.15543	0.51346	0.05867
3	0.48654	0.64197	0.05867
4	0.48654	0.84457	0.55867
5	0.15543	0.64197	0.55867
6	0.35803	0.51346	0.55867
(1/3,2/3,2/3) + set click here to show and hide
7	0.69136	0.51124	0.72534
8	0.48876	0.18013	0.72534
9	0.81987	0.30864	0.72534
10	0.81987	0.51124	0.22534
11	0.48876	0.30864	0.22534
12	0.69136	0.18013	0.22534
(2/3,1/3,1/3) + set click here to show and hide
13	0.02470	0.17790	0.39200
14	0.82210	0.84679	0.39200
15	0.15321	0.97530	0.39200
16	0.15321	0.17790	0.89200
17	0.82210	0.97530	0.89200
18	0.02470	0.84679	0.89200

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn	Mn	0.00000	0.00000	0.00000	6	0,0,m_z	0.0	0.0	1.93	1.93
Co	Co	0.00000	0.00000	0.25000	6	0,0,m_z	0.0	0.0	0.66	0.66

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