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+3/4,z+1/4,-y+1/4,+1	{ 4^-₁₀₀ \| 3/4 1/4 1/4 }
3	x+3/4,-z+3/4,y+1/4,+1	{ 4⁺₁₀₀ \| 3/4 3/4 1/4 }
4	x,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
5	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
6	x+1/2,-y,z,+1	{ m₀₁₀ \| 1/2 0 0 }
7	x+3/4,-z+1/4,-y+3/4,+1	{ m₀₁₁ \| 3/4 1/4 3/4 }
8	x+3/4,z+3/4,y+3/4,+1	{ m_01-1 \| 3/4 3/4 3/4 }
9	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
10	-x+1/2,y,-z,-1	{ 2'₀₁₀ \| 1/2 0 0 }
11	-x+1/4,z+3/4,y+1/4,-1	{ 2'₀₁₁ \| 1/4 3/4 1/4 }
12	-x+1/4,-z+1/4,-y+1/4,-1	{ 2'_01-1 \| 1/4 1/4 1/4 }
13	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
14	-x+3/4,-z+1/4,y+1/4,-1	{ -4'^-₁₀₀ \| 3/4 1/4 1/4 }
15	-x+3/4,z+3/4,-y+1/4,-1	{ -4'⁺₁₀₀ \| 3/4 3/4 1/4 }
16	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
(1/2,1/2,1/2) + set click here to show and hide
17	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
18	x+1/4,z+3/4,-y+3/4,+1	{ 4^-₁₀₀ \| 1/4 3/4 3/4 }
19	x+1/4,-z+1/4,y+3/4,+1	{ 4⁺₁₀₀ \| 1/4 1/4 3/4 }
20	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
21	x,y+1/2,-z,+1	{ m₀₀₁ \| 0 1/2 0 }
22	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
23	x+1/4,-z+3/4,-y+1/4,+1	{ m₀₁₁ \| 1/4 3/4 1/4 }
24	x+1/4,z+1/4,y+1/4,+1	{ m_01-1 \| 1/4 1/4 1/4 }
25	-x,-y+1/2,z,-1	{ 2'₀₀₁ \| 0 1/2 0 }
26	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
27	-x+3/4,z+1/4,y+3/4,-1	{ 2'₀₁₁ \| 3/4 1/4 3/4 }
28	-x+3/4,-z+3/4,-y+3/4,-1	{ 2'_01-1 \| 3/4 3/4 3/4 }
29	-x,-y,-z,-1	{ -1' \| 0 }
30	-x+1/4,-z+3/4,y+3/4,-1	{ -4'^-₁₀₀ \| 1/4 3/4 3/4 }
31	-x+1/4,z+1/4,-y+3/4,-1	{ -4'⁺₁₀₀ \| 1/4 1/4 3/4 }
32	-x,y,z+1/2,-1	{ m'₁₀₀ \| 0 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,z,-y,+1	4^-₁₀₀
3	x,-z,y,+1	4⁺₁₀₀
4	x,-y,-z,+1	2₁₀₀
5	x,y,-z,+1	m₀₀₁
6	x,-y,z,+1	m₀₁₀
7	x,-z,-y,+1	m₀₁₁
8	x,z,y,+1	m_01-1
9	-x,-y,z,-1	2'₀₀₁
10	-x,y,-z,-1	2'₀₁₀
11	-x,z,y,-1	2'₀₁₁
12	-x,-z,-y,-1	2'_01-1
13	-x,-y,-z,-1	-1'
14	-x,-z,y,-1	-4'^-₁₀₀
15	-x,z,-y,-1	-4'⁺₁₀₀
16	-x,y,z,-1	m'₁₀₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1_1	Co	0.125	0.0	0.25	8	m_x,0,0	3.45	0.0	0.0	3.45
Co1_2	Co	0.25	0.125	0.0	16	m_x,0,m_z	2.82	0.0	1.99	3.45

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Al1	Al	0.0	0.0	0.0	16
Si1_1	Si	0.375	0.0	0.25	8
Si1_2	Si	0.25	0.375	0.0	16
O1_1	O	0.03357(6)	0.05166(6)	0.65303(7)	32
O1_2	O	0.65303	0.03357	0.05166	32
O1_3	O	0.05166	0.65303	0.03357	32

[Show all atoms in unit cell and their moment relations]

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_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12500	0.00000	0.25000	m_x,0,0	3.45000	0.00000	0.00000
2	0.87500	0.50000	0.25000	m_x,0,0	3.45000	0.00000	0.00000
3	0.62500	0.00000	0.25000	-m_x,0,0	-3.45000	0.00000	0.00000
4	0.87500	0.00000	0.75000	-m_x,0,0	-3.45000	0.00000	0.00000
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5	0.62500	0.50000	0.75000	m_x,0,0	3.45000	0.00000	0.00000
6	0.37500	0.00000	0.75000	m_x,0,0	3.45000	0.00000	0.00000
7	0.12500	0.50000	0.75000	-m_x,0,0	-3.45000	0.00000	0.00000
8	0.37500	0.50000	0.25000	-m_x,0,0	-3.45000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.12500	0.00000	m_x,0,m_z	2.82000	0.00000	1.99000
2	0.00000	0.25000	0.12500	m_x,m_z,0	2.82000	1.99000	0.00000
3	0.00000	0.75000	0.37500	m_x,-m_z,0	2.82000	-1.99000	0.00000
4	0.25000	0.87500	0.50000	m_x,0,-m_z	2.82000	0.00000	-1.99000
5	0.75000	0.12500	0.50000	-m_x,0,m_z	-2.82000	0.00000	1.99000
6	0.75000	0.87500	0.00000	-m_x,0,-m_z	-2.82000	0.00000	-1.99000
7	0.00000	0.25000	0.62500	-m_x,m_z,0	-2.82000	1.99000	0.00000
8	0.00000	0.75000	0.87500	-m_x,-m_z,0	-2.82000	-1.99000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
9	0.75000	0.62500	0.50000	m_x,0,m_z	2.82000	0.00000	1.99000
10	0.50000	0.75000	0.62500	m_x,m_z,0	2.82000	1.99000	0.00000
11	0.50000	0.25000	0.87500	m_x,-m_z,0	2.82000	-1.99000	0.00000
12	0.75000	0.37500	0.00000	m_x,0,-m_z	2.82000	0.00000	-1.99000
13	0.25000	0.62500	0.00000	-m_x,0,m_z	-2.82000	0.00000	1.99000
14	0.25000	0.37500	0.50000	-m_x,0,-m_z	-2.82000	0.00000	-1.99000
15	0.50000	0.75000	0.12500	-m_x,m_z,0	-2.82000	1.99000	0.00000
16	0.50000	0.25000	0.37500	-m_x,-m_z,0	-2.82000	-1.99000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Al1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.75000	0.25000	0.25000
3	0.75000	0.75000	0.25000
4	0.00000	0.00000	0.50000
5	0.50000	0.00000	0.50000
6	0.50000	0.00000	0.00000
7	0.75000	0.25000	0.75000
8	0.75000	0.75000	0.75000
(1/2,1/2,1/2) + set click here to show and hide
9	0.50000	0.50000	0.50000
10	0.25000	0.75000	0.75000
11	0.25000	0.25000	0.75000
12	0.50000	0.50000	0.00000
13	0.00000	0.50000	0.00000
14	0.00000	0.50000	0.50000
15	0.25000	0.75000	0.25000
16	0.25000	0.25000	0.25000

Set of atoms in the unit cell related by symmetry with the atom Si1_1:

Atom	x	y	z
1	0.37500	0.00000	0.25000
2	0.12500	0.50000	0.25000
3	0.87500	0.00000	0.25000
4	0.12500	0.00000	0.75000
(1/2,1/2,1/2) + set click here to show and hide
5	0.87500	0.50000	0.75000
6	0.62500	0.00000	0.75000
7	0.37500	0.50000	0.75000
8	0.62500	0.50000	0.25000

Set of atoms in the unit cell related by symmetry with the atom Si1_2:

Atom	x	y	z
1	0.25000	0.37500	0.00000
2	0.00000	0.25000	0.87500
3	0.00000	0.75000	0.62500
4	0.25000	0.62500	0.50000
5	0.75000	0.37500	0.50000
6	0.75000	0.62500	0.00000
7	0.00000	0.25000	0.37500
8	0.00000	0.75000	0.12500
(1/2,1/2,1/2) + set click here to show and hide
9	0.75000	0.87500	0.50000
10	0.50000	0.75000	0.37500
11	0.50000	0.25000	0.12500
12	0.75000	0.12500	0.00000
13	0.25000	0.87500	0.00000
14	0.25000	0.12500	0.50000
15	0.50000	0.75000	0.87500
16	0.50000	0.25000	0.62500

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

Atom	x	y	z
1	0.03357	0.05166	0.65303
2	0.78357	0.90303	0.19834
3	0.78357	0.09697	0.30166
4	0.03357	0.94834	0.84697
5	0.53357	0.05166	0.84697
6	0.53357	0.94834	0.65303
7	0.78357	0.59697	0.69834
8	0.78357	0.40303	0.80166
9	0.46643	0.94834	0.15303
10	0.46643	0.05166	0.34697
11	0.21643	0.40303	0.30166
12	0.21643	0.59697	0.19834
13	0.46643	0.44834	0.84697
14	0.71643	0.59697	0.30166
15	0.71643	0.40303	0.19834
16	0.46643	0.55166	0.65303
(1/2,1/2,1/2) + set click here to show and hide
17	0.53357	0.55166	0.15303
18	0.28357	0.40303	0.69834
19	0.28357	0.59697	0.80166
20	0.53357	0.44834	0.34697
21	0.03357	0.55166	0.34697
22	0.03357	0.44834	0.15303
23	0.28357	0.09697	0.19834
24	0.28357	0.90303	0.30166
25	0.96643	0.44834	0.65303
26	0.96643	0.55166	0.84697
27	0.71643	0.90303	0.80166
28	0.71643	0.09697	0.69834
29	0.96643	0.94834	0.34697
30	0.21643	0.09697	0.80166
31	0.21643	0.90303	0.69834
32	0.96643	0.05166	0.15303

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

Atom	x	y	z
1	0.65303	0.03357	0.05166
2	0.40303	0.30166	0.21643
3	0.40303	0.69834	0.28357
4	0.65303	0.96643	0.44834
5	0.15303	0.03357	0.44834
6	0.15303	0.96643	0.05166
7	0.40303	0.19834	0.71643
8	0.40303	0.80166	0.78357
9	0.84697	0.96643	0.55166
10	0.84697	0.03357	0.94834
11	0.59697	0.80166	0.28357
12	0.59697	0.19834	0.21643
13	0.84697	0.46643	0.44834
14	0.09697	0.19834	0.28357
15	0.09697	0.80166	0.21643
16	0.84697	0.53357	0.05166
(1/2,1/2,1/2) + set click here to show and hide
17	0.15303	0.53357	0.55166
18	0.90303	0.80166	0.71643
19	0.90303	0.19834	0.78357
20	0.15303	0.46643	0.94834
21	0.65303	0.53357	0.94834
22	0.65303	0.46643	0.55166
23	0.90303	0.69834	0.21643
24	0.90303	0.30166	0.28357
25	0.34697	0.46643	0.05166
26	0.34697	0.53357	0.44834
27	0.09697	0.30166	0.78357
28	0.09697	0.69834	0.71643
29	0.34697	0.96643	0.94834
30	0.59697	0.69834	0.78357
31	0.59697	0.30166	0.71643
32	0.34697	0.03357	0.55166

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

Atom	x	y	z
1	0.05166	0.65303	0.03357
2	0.80166	0.28357	0.59697
3	0.80166	0.71643	0.90303
4	0.05166	0.34697	0.46643
5	0.55166	0.65303	0.46643
6	0.55166	0.34697	0.03357
7	0.80166	0.21643	0.09697
8	0.80166	0.78357	0.40303
9	0.44834	0.34697	0.53357
10	0.44834	0.65303	0.96643
11	0.19834	0.78357	0.90303
12	0.19834	0.21643	0.59697
13	0.44834	0.84697	0.46643
14	0.69834	0.21643	0.90303
15	0.69834	0.78357	0.59697
16	0.44834	0.15303	0.03357
(1/2,1/2,1/2) + set click here to show and hide
17	0.55166	0.15303	0.53357
18	0.30166	0.78357	0.09697
19	0.30166	0.21643	0.40303
20	0.55166	0.84697	0.96643
21	0.05166	0.15303	0.96643
22	0.05166	0.84697	0.53357
23	0.30166	0.71643	0.59697
24	0.30166	0.28357	0.90303
25	0.94834	0.84697	0.03357
26	0.94834	0.15303	0.46643
27	0.69834	0.28357	0.40303
28	0.69834	0.71643	0.09697
29	0.94834	0.34697	0.96643
30	0.19834	0.71643	0.40303
31	0.19834	0.28357	0.09697
32	0.94834	0.65303	0.53357

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1_1	Co	0.125	0.0	0.25	8	m_x,0,0	3.45	0.0	0.0	3.45
Co1_2	Co	0.25	0.125	0.0	16	m_x,0,m_z	2.82	0.0	1.99	3.45

[Show all magnetic atoms in unit cell and their moment relations]

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mGM4-	3	3	special	primary	3

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

Co₃Al₂Si₃O₁₂ (#0.388)

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

Co3Al2Si3O12 (#0.388)

Co₃Al₂Si₃O₁₂ (#0.388)