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+2/3,z,+1	{ 3⁺₀₀₁ \| 0 2/3 0 }
3	-x+y+1/3,-x,z,+1	{ 3^-₀₀₁ \| 1/3 0 0 }
4	-x+y+1/3,y,-z+1/2,+1	{ 2₁₂₀ \| 1/3 0 1/2 }
5	-y,-x,-z+1/2,+1	{ 2_1-10 \| 0 0 1/2 }
6	x,x-y+2/3,-z+1/2,+1	{ 2₂₁₀ \| 0 2/3 1/2 }
7	-x+y+1/3,-x,-z+1/2,+1	{ -6⁺₀₀₁ \| 1/3 0 1/2 }
8	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
9	-y,x-y+2/3,-z+1/2,+1	{ -6^-₀₀₁ \| 0 2/3 1/2 }
10	x,x-y+2/3,z,+1	{ m₀₁₀ \| 0 2/3 0 }
11	-x+y+1/3,y,z,+1	{ m₁₀₀ \| 1/3 0 0 }
12	-y,-x,z,+1	{ m₁₁₀ \| 0 }
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13	x+1/3,y+2/3,z,+1	{ 1 \| 1/3 2/3 0 }
14	-y+1/3,x-y+1/3,z,+1	{ 3⁺₀₀₁ \| 1/3 1/3 0 }
15	-x+y+2/3,-x+2/3,z,+1	{ 3^-₀₀₁ \| 2/3 2/3 0 }
16	-x+y+2/3,y+2/3,-z+1/2,+1	{ 2₁₂₀ \| 2/3 2/3 1/2 }
17	-y+1/3,-x+2/3,-z+1/2,+1	{ 2_1-10 \| 1/3 2/3 1/2 }
18	x+1/3,x-y+1/3,-z+1/2,+1	{ 2₂₁₀ \| 1/3 1/3 1/2 }
19	-x+y+2/3,-x+2/3,-z+1/2,+1	{ -6⁺₀₀₁ \| 2/3 2/3 1/2 }
20	x+1/3,y+2/3,-z+1/2,+1	{ m₀₀₁ \| 1/3 2/3 1/2 }
21	-y+1/3,x-y+1/3,-z+1/2,+1	{ -6^-₀₀₁ \| 1/3 1/3 1/2 }
22	x+1/3,x-y+1/3,z,+1	{ m₀₁₀ \| 1/3 1/3 0 }
23	-x+y+2/3,y+2/3,z,+1	{ m₁₀₀ \| 2/3 2/3 0 }
24	-y+1/3,-x+2/3,z,+1	{ m₁₁₀ \| 1/3 2/3 0 }
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25	x+2/3,y+1/3,z,+1	{ 1 \| 2/3 1/3 0 }
26	-y+2/3,x-y,z,+1	{ 3⁺₀₀₁ \| 2/3 0 0 }
27	-x+y,-x+1/3,z,+1	{ 3^-₀₀₁ \| 0 1/3 0 }
28	-x+y,y+1/3,-z+1/2,+1	{ 2₁₂₀ \| 0 1/3 1/2 }
29	-y+2/3,-x+1/3,-z+1/2,+1	{ 2_1-10 \| 2/3 1/3 1/2 }
30	x+2/3,x-y,-z+1/2,+1	{ 2₂₁₀ \| 2/3 0 1/2 }
31	-x+y,-x+1/3,-z+1/2,+1	{ -6⁺₀₀₁ \| 0 1/3 1/2 }
32	x+2/3,y+1/3,-z+1/2,+1	{ m₀₀₁ \| 2/3 1/3 1/2 }
33	-y+2/3,x-y,-z+1/2,+1	{ -6^-₀₀₁ \| 2/3 0 1/2 }
34	x+2/3,x-y,z,+1	{ m₀₁₀ \| 2/3 0 0 }
35	-x+y,y+1/3,z,+1	{ m₁₀₀ \| 0 1/3 0 }
36	-y+2/3,-x+1/3,z,+1	{ m₁₁₀ \| 2/3 1/3 0 }

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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	-y,x-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	-x+y,y,-z,+1	2₁₂₀
5	-y,-x,-z,+1	2_1-10
6	x,x-y,-z,+1	2₂₁₀
7	-x+y,-x,-z,+1	-6⁺₀₀₁
8	x,y,-z,+1	m₀₀₁
9	-y,x-y,-z,+1	-6^-₀₀₁
10	x,x-y,z,+1	m₀₁₀
11	-x+y,y,z,+1	m₁₀₀
12	-y,-x,z,+1	m₁₁₀

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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	Co	0.00000	0.00000	0.00000	18	m_x,m_x,0	1.	1.	0.0	1.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1_1	Ba	0.00000	0.00000	0.25000	9
Ba1_2	Ba	0.00000	0.00000	0.75000	9
Ba2_1	Ba	0.11111	0.22222	0.91120	12
Ba2_2	Ba	0.22222	0.11111	0.41120	18
Ba2_3	Ba	0.11111	0.88889	0.91120	6
Sb1_1	Sb	0.11111	0.22222	0.15180	12
Sb1_2	Sb	0.22222	0.11111	0.65180	18
Sb1_3	Sb	0.11111	0.88889	0.15180	6
O1_1	O	0.16093	0.32186	0.25000	18
O1_2	O	0.16093	0.83907	0.25000	9
O1_3	O	0.83907	0.67813	0.75000	18
O1_4	O	0.83907	0.16093	0.75000	9
O2_1	O	0.05657	0.11314	0.41570	36
O2_2	O	0.05657	0.94343	0.41570	18
O2_3	O	0.94343	0.88687	0.91570	36
O2_4	O	0.94343	0.05657	0.91570	18

[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:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_x,0	1.00000	1.00000	0.00000
2	0.00000	0.66667	0.00000	-m_x,0,0	-1.00000	0.00000	0.00000
3	0.33333	0.00000	0.00000	0,-m_x,0	0.00000	-1.00000	0.00000
4	0.33333	0.00000	0.50000	0,m_x,0	0.00000	1.00000	0.00000
5	0.00000	0.00000	0.50000	-m_x,-m_x,0	-1.00000	-1.00000	0.00000
6	0.00000	0.66667	0.50000	m_x,0,0	1.00000	0.00000	0.00000
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7	0.33333	0.66667	0.00000	m_x,m_x,0	1.00000	1.00000	0.00000
8	0.33333	0.33333	0.00000	-m_x,0,0	-1.00000	0.00000	0.00000
9	0.66667	0.66667	0.00000	0,-m_x,0	0.00000	-1.00000	0.00000
10	0.66667	0.66667	0.50000	0,m_x,0	0.00000	1.00000	0.00000
11	0.33333	0.66667	0.50000	-m_x,-m_x,0	-1.00000	-1.00000	0.00000
12	0.33333	0.33333	0.50000	m_x,0,0	1.00000	0.00000	0.00000
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13	0.66667	0.33333	0.00000	m_x,m_x,0	1.00000	1.00000	0.00000
14	0.66667	0.00000	0.00000	-m_x,0,0	-1.00000	0.00000	0.00000
15	0.00000	0.33333	0.00000	0,-m_x,0	0.00000	-1.00000	0.00000
16	0.00000	0.33333	0.50000	0,m_x,0	0.00000	1.00000	0.00000
17	0.66667	0.33333	0.50000	-m_x,-m_x,0	-1.00000	-1.00000	0.00000
18	0.66667	0.00000	0.50000	m_x,0,0	1.00000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1_1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.00000	0.66667	0.25000
3	0.33333	0.00000	0.25000
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4	0.33333	0.66667	0.25000
5	0.33333	0.33333	0.25000
6	0.66667	0.66667	0.25000
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7	0.66667	0.33333	0.25000
8	0.66667	0.00000	0.25000
9	0.00000	0.33333	0.25000

Set of atoms in the unit cell related by symmetry with the atom Ba1_2:

Atom	x	y	z
1	0.00000	0.00000	0.75000
2	0.00000	0.66667	0.75000
3	0.33333	0.00000	0.75000
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4	0.33333	0.66667	0.75000
5	0.33333	0.33333	0.75000
6	0.66667	0.66667	0.75000
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7	0.66667	0.33333	0.75000
8	0.66667	0.00000	0.75000
9	0.00000	0.33333	0.75000

Set of atoms in the unit cell related by symmetry with the atom Ba2_1:

Atom	x	y	z
1	0.11111	0.22222	0.91120
2	0.44444	0.22222	0.58880
3	0.44444	0.88889	0.58880
4	0.11111	0.55556	0.91120
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5	0.44444	0.88889	0.91120
6	0.77778	0.88889	0.58880
7	0.77778	0.55556	0.58880
8	0.44444	0.22222	0.91120
(2/3,1/3,0) + set click here to show and hide
9	0.77778	0.55555	0.91120
10	0.11111	0.55555	0.58880
11	0.11111	0.22222	0.58880
12	0.77778	0.88889	0.91120

Set of atoms in the unit cell related by symmetry with the atom Ba2_2:

Atom	x	y	z
1	0.22222	0.11111	0.41120
2	0.88889	0.77778	0.41120
3	0.22222	0.77778	0.41120
4	0.22222	0.11111	0.08880
5	0.88889	0.77778	0.08880
6	0.22222	0.77778	0.08880
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7	0.55555	0.77778	0.41120
8	0.22222	0.44444	0.41120
9	0.55556	0.44445	0.41120
10	0.55556	0.77778	0.08880
11	0.22222	0.44445	0.08880
12	0.55555	0.44444	0.08880
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13	0.88889	0.44444	0.41120
14	0.55556	0.11111	0.41120
15	0.88889	0.11111	0.41120
16	0.88889	0.44444	0.08880
17	0.55556	0.11111	0.08880
18	0.88889	0.11111	0.08880

Set of atoms in the unit cell related by symmetry with the atom Ba2_3:

Atom	x	y	z
1	0.11111	0.88889	0.91120
2	0.11111	0.88889	0.58880
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3	0.44444	0.55556	0.91120
4	0.44445	0.55556	0.58880
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5	0.77778	0.22222	0.91120
6	0.77778	0.22222	0.58880

Set of atoms in the unit cell related by symmetry with the atom Sb1_1:

Atom	x	y	z
1	0.11111	0.22222	0.15180
2	0.44444	0.22222	0.34820
3	0.44444	0.88889	0.34820
4	0.11111	0.55556	0.15180
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5	0.44444	0.88889	0.15180
6	0.77778	0.88889	0.34820
7	0.77778	0.55556	0.34820
8	0.44444	0.22222	0.15180
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9	0.77778	0.55555	0.15180
10	0.11111	0.55555	0.34820
11	0.11111	0.22222	0.34820
12	0.77778	0.88889	0.15180

Set of atoms in the unit cell related by symmetry with the atom Sb1_2:

Atom	x	y	z
1	0.22222	0.11111	0.65180
2	0.88889	0.77778	0.65180
3	0.22222	0.77778	0.65180
4	0.22222	0.11111	0.84820
5	0.88889	0.77778	0.84820
6	0.22222	0.77778	0.84820
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7	0.55555	0.77778	0.65180
8	0.22222	0.44444	0.65180
9	0.55556	0.44445	0.65180
10	0.55556	0.77778	0.84820
11	0.22222	0.44445	0.84820
12	0.55555	0.44444	0.84820
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13	0.88889	0.44444	0.65180
14	0.55556	0.11111	0.65180
15	0.88889	0.11111	0.65180
16	0.88889	0.44444	0.84820
17	0.55556	0.11111	0.84820
18	0.88889	0.11111	0.84820

Set of atoms in the unit cell related by symmetry with the atom Sb1_3:

Atom	x	y	z
1	0.11111	0.88889	0.15180
2	0.11111	0.88889	0.34820
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3	0.44444	0.55556	0.15180
4	0.44445	0.55556	0.34820
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5	0.77778	0.22222	0.15180
6	0.77778	0.22222	0.34820

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

Atom	x	y	z
1	0.16093	0.32186	0.25000
2	0.67814	0.50574	0.25000
3	0.49426	0.83907	0.25000
4	0.49426	0.32186	0.25000
5	0.67814	0.83907	0.25000
6	0.16093	0.50574	0.25000
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7	0.49426	0.98853	0.25000
8	0.01147	0.17240	0.25000
9	0.82760	0.50574	0.25000
10	0.82760	0.98853	0.25000
11	0.01147	0.50574	0.25000
12	0.49426	0.17240	0.25000
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13	0.82760	0.65519	0.25000
14	0.34481	0.83907	0.25000
15	0.16093	0.17240	0.25000
16	0.16093	0.65519	0.25000
17	0.34481	0.17240	0.25000
18	0.82760	0.83907	0.25000

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

Atom	x	y	z
1	0.16093	0.83907	0.25000
2	0.16093	0.98853	0.25000
3	0.01147	0.83907	0.25000
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4	0.49426	0.50574	0.25000
5	0.49426	0.65519	0.25000
6	0.34481	0.50574	0.25000
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7	0.82760	0.17240	0.25000
8	0.82760	0.32186	0.25000
9	0.67814	0.17240	0.25000

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

Atom	x	y	z
1	0.83907	0.67813	0.75000
2	0.32187	0.82761	0.75000
3	0.17239	0.16093	0.75000
4	0.17239	0.67813	0.75000
5	0.32187	0.16093	0.75000
6	0.83907	0.82761	0.75000
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7	0.17240	0.34480	0.75000
8	0.65520	0.49427	0.75000
9	0.50573	0.82760	0.75000
10	0.50573	0.34480	0.75000
11	0.65520	0.82760	0.75000
12	0.17240	0.49427	0.75000
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13	0.50574	0.01146	0.75000
14	0.98854	0.16094	0.75000
15	0.83906	0.49426	0.75000
16	0.83906	0.01146	0.75000
17	0.98854	0.49426	0.75000
18	0.50574	0.16094	0.75000

Set of atoms in the unit cell related by symmetry with the atom O1_4:

Atom	x	y	z
1	0.83907	0.16093	0.75000
2	0.83907	0.34481	0.75000
3	0.65519	0.16093	0.75000
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4	0.17240	0.82760	0.75000
5	0.17240	0.01147	0.75000
6	0.98853	0.82760	0.75000
(2/3,1/3,0) + set click here to show and hide
7	0.50574	0.49426	0.75000
8	0.50574	0.67814	0.75000
9	0.32186	0.49426	0.75000

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.05657	0.11314	0.41570
2	0.88686	0.61010	0.41570
3	0.38990	0.94343	0.41570
4	0.38990	0.11314	0.08430
5	0.88686	0.94343	0.08430
6	0.05657	0.61010	0.08430
7	0.38990	0.94343	0.08430
8	0.05657	0.11314	0.08430
9	0.88686	0.61010	0.08430
10	0.05657	0.61010	0.41570
11	0.38990	0.11314	0.41570
12	0.88686	0.94343	0.41570
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13	0.38990	0.77981	0.41570
14	0.22019	0.27676	0.41570
15	0.72324	0.61010	0.41570
16	0.72324	0.77981	0.08430
17	0.22019	0.61010	0.08430
18	0.38990	0.27676	0.08430
19	0.72324	0.61010	0.08430
20	0.38990	0.77981	0.08430
21	0.22019	0.27676	0.08430
22	0.38990	0.27676	0.41570
23	0.72324	0.77981	0.41570
24	0.22019	0.61010	0.41570
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25	0.72324	0.44647	0.41570
26	0.55353	0.94343	0.41570
27	0.05657	0.27676	0.41570
28	0.05657	0.44647	0.08430
29	0.55353	0.27676	0.08430
30	0.72324	0.94343	0.08430
31	0.05657	0.27676	0.08430
32	0.72324	0.44647	0.08430
33	0.55353	0.94343	0.08430
34	0.72324	0.94343	0.41570
35	0.05657	0.44647	0.41570
36	0.55353	0.27676	0.41570

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.05657	0.94343	0.41570
2	0.05657	0.77981	0.41570
3	0.22019	0.94343	0.41570
4	0.22019	0.94343	0.08430
5	0.05657	0.94343	0.08430
6	0.05657	0.77981	0.08430
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7	0.38990	0.61010	0.41570
8	0.38990	0.44647	0.41570
9	0.55353	0.61010	0.41570
10	0.55353	0.61010	0.08430
11	0.38990	0.61010	0.08430
12	0.38990	0.44647	0.08430
(2/3,1/3,0) + set click here to show and hide
13	0.72324	0.27676	0.41570
14	0.72324	0.11314	0.41570
15	0.88686	0.27676	0.41570
16	0.88686	0.27676	0.08430
17	0.72324	0.27676	0.08430
18	0.72324	0.11314	0.08430

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.94343	0.88687	0.91570
2	0.11313	0.72323	0.91570
3	0.27677	0.05657	0.91570
4	0.27677	0.88687	0.58430
5	0.11313	0.05657	0.58430
6	0.94343	0.72323	0.58430
7	0.27677	0.05657	0.58430
8	0.94343	0.88687	0.58430
9	0.11313	0.72323	0.58430
10	0.94343	0.72323	0.91570
11	0.27677	0.88687	0.91570
12	0.11313	0.05657	0.91570
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13	0.27676	0.55354	0.91570
14	0.44646	0.38989	0.91570
15	0.61011	0.72324	0.91570
16	0.61011	0.55354	0.58430
17	0.44646	0.72324	0.58430
18	0.27676	0.38989	0.58430
19	0.61011	0.72324	0.58430
20	0.27676	0.55354	0.58430
21	0.44646	0.38989	0.58430
22	0.27676	0.38989	0.91570
23	0.61011	0.55354	0.91570
24	0.44646	0.72324	0.91570
(2/3,1/3,0) + set click here to show and hide
25	0.61010	0.22020	0.91570
26	0.77980	0.05656	0.91570
27	0.94344	0.38990	0.91570
28	0.94344	0.22020	0.58430
29	0.77980	0.38990	0.58430
30	0.61010	0.05656	0.58430
31	0.94344	0.38990	0.58430
32	0.61010	0.22020	0.58430
33	0.77980	0.05656	0.58430
34	0.61010	0.05656	0.91570
35	0.94344	0.22020	0.91570
36	0.77980	0.38990	0.91570

Set of atoms in the unit cell related by symmetry with the atom O2_4:

Atom	x	y	z
1	0.94343	0.05657	0.91570
2	0.94343	0.55353	0.91570
3	0.44647	0.05657	0.91570
4	0.44647	0.05657	0.58430
5	0.94343	0.05657	0.58430
6	0.94343	0.55353	0.58430
(1/3,2/3,0) + set click here to show and hide
7	0.27676	0.72324	0.91570
8	0.27676	0.22019	0.91570
9	0.77981	0.72324	0.91570
10	0.77981	0.72324	0.58430
11	0.27676	0.72324	0.58430
12	0.27676	0.22019	0.58430
(2/3,1/3,0) + set click here to show and hide
13	0.61010	0.38990	0.91570
14	0.61010	0.88686	0.91570
15	0.11314	0.38990	0.91570
16	0.11314	0.38990	0.58430
17	0.61010	0.38990	0.58430
18	0.61010	0.88686	0.58430

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.00000	18	m_x,m_x,0	1.	1.	0.0	1.00

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mK5	4	2	special	primary	1

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

Ba₃CoSb₂O₉ (#1.0.45)

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

Ba3CoSb2O9 (#1.0.45)

Ba₃CoSb₂O₉ (#1.0.45)