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+1/3,x-y,z,+1	{ 3⁺₀₀₁ \| 1/3 0 0 }
3	-x+y+1/3,-x+1/3,z,+1	{ 3^-₀₀₁ \| 1/3 1/3 0 }
4	-y+1/3,-x+1/3,z+1/2,+1	{ m₁₁₀ \| 1/3 1/3 1/2 }
5	x,x-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
6	-x+y+1/3,y,z+1/2,+1	{ m₁₀₀ \| 1/3 0 1/2 }
(1/3,2/3,0) + set click here to show and hide
7	x+1/3,y+2/3,z,+1	{ 1 \| 1/3 2/3 0 }
8	-y+2/3,x-y+2/3,z,+1	{ 3⁺₀₀₁ \| 2/3 2/3 0 }
9	-x+y+2/3,-x,z,+1	{ 3^-₀₀₁ \| 2/3 0 0 }
10	-y+2/3,-x,z+1/2,+1	{ m₁₁₀ \| 2/3 0 1/2 }
11	x+1/3,x-y+2/3,z+1/2,+1	{ m₀₁₀ \| 1/3 2/3 1/2 }
12	-x+y+2/3,y+2/3,z+1/2,+1	{ m₁₀₀ \| 2/3 2/3 1/2 }
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13	x+2/3,y+1/3,z,+1	{ 1 \| 2/3 1/3 0 }
14	-y,x-y+1/3,z,+1	{ 3⁺₀₀₁ \| 0 1/3 0 }
15	-x+y,-x+2/3,z,+1	{ 3^-₀₀₁ \| 0 2/3 0 }
16	-y,-x+2/3,z+1/2,+1	{ m₁₁₀ \| 0 2/3 1/2 }
17	x+2/3,x-y+1/3,z+1/2,+1	{ m₀₁₀ \| 2/3 1/3 1/2 }
18	-x+y,y+1/3,z+1/2,+1	{ m₁₀₀ \| 0 1/3 1/2 }
(0,0,1/2)' + set click here to show and hide
19	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
20	-y+1/3,x-y,z+1/2,-1	{ 3'⁺₀₀₁ \| 1/3 0 1/2 }
21	-x+y+1/3,-x+1/3,z+1/2,-1	{ 3'^-₀₀₁ \| 1/3 1/3 1/2 }
22	-y+1/3,-x+1/3,z,-1	{ m'₁₁₀ \| 1/3 1/3 0 }
23	x,x-y,z,-1	{ m'₀₁₀ \| 0 }
24	-x+y+1/3,y,z,-1	{ m'₁₀₀ \| 1/3 0 0 }
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25	x+1/3,y+2/3,z+1/2,-1	{ 1' \| 1/3 2/3 1/2 }
26	-y+2/3,x-y+2/3,z+1/2,-1	{ 3'⁺₀₀₁ \| 2/3 2/3 1/2 }
27	-x+y+2/3,-x,z+1/2,-1	{ 3'^-₀₀₁ \| 2/3 0 1/2 }
28	-y+2/3,-x,z,-1	{ m'₁₁₀ \| 2/3 0 0 }
29	x+1/3,x-y+2/3,z,-1	{ m'₀₁₀ \| 1/3 2/3 0 }
30	-x+y+2/3,y+2/3,z,-1	{ m'₁₀₀ \| 2/3 2/3 0 }
(2/3,1/3,1/2)' + set click here to show and hide
31	x+2/3,y+1/3,z+1/2,-1	{ 1' \| 2/3 1/3 1/2 }
32	-y,x-y+1/3,z+1/2,-1	{ 3'⁺₀₀₁ \| 0 1/3 1/2 }
33	-x+y,-x+2/3,z+1/2,-1	{ 3'^-₀₀₁ \| 0 2/3 1/2 }
34	-y,-x+2/3,z,-1	{ m'₁₁₀ \| 0 2/3 0 }
35	x+2/3,x-y+1/3,z,-1	{ m'₀₁₀ \| 2/3 1/3 0 }
36	-x+y,y+1/3,z,-1	{ m'₁₀₀ \| 0 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	-y,-x,z,+1	m₁₁₀
5	x,x-y,z,+1	m₀₁₀
6	-x+y,y,z,+1	m₁₀₀
1' + set click here to show and hide
7	x,y,z,-1	1'
8	-y,x-y,z,-1	3'⁺₀₀₁
9	-x+y,-x,z,-1	3'^-₀₀₁
10	-y,-x,z,-1	m'₁₁₀
11	x,x-y,z,-1	m'₀₁₀
12	-x+y,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	Co	0.00000	0.00000	0.25000	18	2m_y,m_y,m_z	1.18	0.59	0.0	1.02

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.00000	0.00000	0.00000	18
Ba2_1	Ba	0.11111	0.22222	0.33065	18
Ba2_2	Ba	0.22222	0.11111	0.66935	6
Ba2_3	Ba	0.22222	0.44444	0.66935	12
Nb1_1	Nb	0.11111	0.22222	0.08755	18
Nb1_2	Nb	0.22222	0.11111	0.91245	6
Nb1_3	Nb	0.22222	0.44444	0.91245	12
O1_1	O	0.16667	0.00000	0.00000	18
O1_2	O	0.00000	0.16667	0.00000	36
O2_1	O	0.05590	0.94410	0.16595	36
O2_2	O	0.88820	0.94410	0.16595	18
O2_3	O	0.94410	0.05590	0.83405	36
O2_4	O	0.11180	0.05590	0.83405	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	0.25000	2m_y,m_y,m_z	1.18000	0.59000	0.00000
2	0.33333	0.00000	0.25000	-m_y,m_y,m_z	-0.59000	0.59000	0.00000
3	0.33333	0.33333	0.25000	-m_y,-2m_y,m_z	-0.59000	-1.18000	0.00000
(1/3,2/3,0) + set click here to show and hide
4	0.33333	0.66667	0.25000	2m_y,m_y,m_z	1.18000	0.59000	0.00000
5	0.66667	0.66667	0.25000	-m_y,m_y,m_z	-0.59000	0.59000	0.00000
6	0.66667	0.00000	0.25000	-m_y,-2m_y,m_z	-0.59000	-1.18000	0.00000
(2/3,1/3,0) + set click here to show and hide
7	0.66667	0.33333	0.25000	2m_y,m_y,m_z	1.18000	0.59000	0.00000
8	0.00000	0.33333	0.25000	-m_y,m_y,m_z	-0.59000	0.59000	0.00000
9	0.00000	0.66667	0.25000	-m_y,-2m_y,m_z	-0.59000	-1.18000	0.00000
(0,0,1/2)' + set click here to show and hide
10	0.00000	0.00000	0.75000	-2m_y,-m_y,-m_z	-1.18000	-0.59000	0.00000
11	0.33333	0.00000	0.75000	m_y,-m_y,-m_z	0.59000	-0.59000	0.00000
12	0.33333	0.33333	0.75000	m_y,2m_y,-m_z	0.59000	1.18000	0.00000
(1/3,2/3,1/2)' + set click here to show and hide
13	0.33333	0.66667	0.75000	-2m_y,-m_y,-m_z	-1.18000	-0.59000	0.00000
14	0.66667	0.66667	0.75000	m_y,-m_y,-m_z	0.59000	-0.59000	0.00000
15	0.66667	0.00000	0.75000	m_y,2m_y,-m_z	0.59000	1.18000	0.00000
(2/3,1/3,1/2)' + set click here to show and hide
16	0.66667	0.33333	0.75000	-2m_y,-m_y,-m_z	-1.18000	-0.59000	0.00000
17	0.00000	0.33333	0.75000	m_y,-m_y,-m_z	0.59000	-0.59000	0.00000
18	0.00000	0.66667	0.75000	m_y,2m_y,-m_z	0.59000	1.18000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.33333	0.00000	0.00000
3	0.33333	0.33333	0.00000
(1/3,2/3,0) + set click here to show and hide
4	0.33333	0.66667	0.00000
5	0.66667	0.66667	0.00000
6	0.66667	0.00000	0.00000
(2/3,1/3,0) + set click here to show and hide
7	0.66667	0.33333	0.00000
8	0.00000	0.33333	0.00000
9	0.00000	0.66667	0.00000
(0,0,1/2)' + set click here to show and hide
10	0.00000	0.00000	0.50000
11	0.33333	0.00000	0.50000
12	0.33333	0.33333	0.50000
(1/3,2/3,1/2)' + set click here to show and hide
13	0.33333	0.66667	0.50000
14	0.66667	0.66667	0.50000
15	0.66667	0.00000	0.50000
(2/3,1/3,1/2)' + set click here to show and hide
16	0.66667	0.33333	0.50000
17	0.00000	0.33333	0.50000
18	0.00000	0.66667	0.50000

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

Atom	x	y	z
1	0.11111	0.22222	0.33065
2	0.11111	0.88889	0.33065
3	0.44444	0.22222	0.33065
(1/3,2/3,0) + set click here to show and hide
4	0.44444	0.88889	0.33065
5	0.44445	0.55556	0.33065
6	0.77778	0.88889	0.33065
(2/3,1/3,0) + set click here to show and hide
7	0.77778	0.55555	0.33065
8	0.77778	0.22222	0.33065
9	0.11111	0.55556	0.33065
(0,0,1/2)' + set click here to show and hide
10	0.11111	0.22222	0.83065
11	0.11111	0.88889	0.83065
12	0.44444	0.22222	0.83065
(1/3,2/3,1/2)' + set click here to show and hide
13	0.44444	0.88889	0.83065
14	0.44445	0.55556	0.83065
15	0.77778	0.88889	0.83065
(2/3,1/3,1/2)' + set click here to show and hide
16	0.77778	0.55555	0.83065
17	0.77778	0.22222	0.83065
18	0.11111	0.55556	0.83065

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

Atom	x	y	z
1	0.22222	0.11111	0.66935
(1/3,2/3,0) + set click here to show and hide
2	0.55555	0.77778	0.66935
(2/3,1/3,0) + set click here to show and hide
3	0.88889	0.44444	0.66935
(0,0,1/2)' + set click here to show and hide
4	0.22222	0.11111	0.16935
(1/3,2/3,1/2)' + set click here to show and hide
5	0.55555	0.77778	0.16935
(2/3,1/3,1/2)' + set click here to show and hide
6	0.88889	0.44444	0.16935

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

Atom	x	y	z
1	0.22222	0.44444	0.66935
2	0.88889	0.11111	0.16935
(1/3,2/3,0) + set click here to show and hide
3	0.55555	0.11111	0.66935
4	0.22223	0.77778	0.16935
(2/3,1/3,0) + set click here to show and hide
5	0.88889	0.77777	0.66935
6	0.55556	0.44445	0.16935
(0,0,1/2)' + set click here to show and hide
7	0.22222	0.44444	0.16935
8	0.88889	0.11111	0.66935
(1/3,2/3,1/2)' + set click here to show and hide
9	0.55555	0.11111	0.16935
10	0.22223	0.77778	0.66935
(2/3,1/3,1/2)' + set click here to show and hide
11	0.88889	0.77777	0.16935
12	0.55556	0.44445	0.66935

Set of atoms in the unit cell related by symmetry with the atom Nb1_1:

Atom	x	y	z
1	0.11111	0.22222	0.08755
2	0.11111	0.88889	0.08755
3	0.44444	0.22222	0.08755
(1/3,2/3,0) + set click here to show and hide
4	0.44444	0.88889	0.08755
5	0.44445	0.55556	0.08755
6	0.77778	0.88889	0.08755
(2/3,1/3,0) + set click here to show and hide
7	0.77778	0.55555	0.08755
8	0.77778	0.22222	0.08755
9	0.11111	0.55556	0.08755
(0,0,1/2)' + set click here to show and hide
10	0.11111	0.22222	0.58755
11	0.11111	0.88889	0.58755
12	0.44444	0.22222	0.58755
(1/3,2/3,1/2)' + set click here to show and hide
13	0.44444	0.88889	0.58755
14	0.44445	0.55556	0.58755
15	0.77778	0.88889	0.58755
(2/3,1/3,1/2)' + set click here to show and hide
16	0.77778	0.55555	0.58755
17	0.77778	0.22222	0.58755
18	0.11111	0.55556	0.58755

Set of atoms in the unit cell related by symmetry with the atom Nb1_2:

Atom	x	y	z
1	0.22222	0.11111	0.91245
(1/3,2/3,0) + set click here to show and hide
2	0.55555	0.77778	0.91245
(2/3,1/3,0) + set click here to show and hide
3	0.88889	0.44444	0.91245
(0,0,1/2)' + set click here to show and hide
4	0.22222	0.11111	0.41245
(1/3,2/3,1/2)' + set click here to show and hide
5	0.55555	0.77778	0.41245
(2/3,1/3,1/2)' + set click here to show and hide
6	0.88889	0.44444	0.41245

Set of atoms in the unit cell related by symmetry with the atom Nb1_3:

Atom	x	y	z
1	0.22222	0.44444	0.91245
2	0.88889	0.11111	0.41245
(1/3,2/3,0) + set click here to show and hide
3	0.55555	0.11111	0.91245
4	0.22223	0.77778	0.41245
(2/3,1/3,0) + set click here to show and hide
5	0.88889	0.77777	0.91245
6	0.55556	0.44445	0.41245
(0,0,1/2)' + set click here to show and hide
7	0.22222	0.44444	0.41245
8	0.88889	0.11111	0.91245
(1/3,2/3,1/2)' + set click here to show and hide
9	0.55555	0.11111	0.41245
10	0.22223	0.77778	0.91245
(2/3,1/3,1/2)' + set click here to show and hide
11	0.88889	0.77777	0.41245
12	0.55556	0.44445	0.91245

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

Atom	x	y	z
1	0.16667	0.00000	0.00000
2	0.33333	0.16667	0.00000
3	0.16666	0.16666	0.00000
(1/3,2/3,0) + set click here to show and hide
4	0.50000	0.66667	0.00000
5	0.66667	0.83334	0.00000
6	0.50000	0.83333	0.00000
(2/3,1/3,0) + set click here to show and hide
7	0.83334	0.33333	0.00000
8	0.00000	0.50000	0.00000
9	0.83333	0.50000	0.00000
(0,0,1/2)' + set click here to show and hide
10	0.16667	0.00000	0.50000
11	0.33333	0.16667	0.50000
12	0.16666	0.16666	0.50000
(1/3,2/3,1/2)' + set click here to show and hide
13	0.50000	0.66667	0.50000
14	0.66667	0.83334	0.50000
15	0.50000	0.83333	0.50000
(2/3,1/3,1/2)' + set click here to show and hide
16	0.83334	0.33333	0.50000
17	0.00000	0.50000	0.50000
18	0.83333	0.50000	0.50000

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

Atom	x	y	z
1	0.00000	0.16667	0.00000
2	0.16666	0.83333	0.00000
3	0.50000	0.33333	0.00000
4	0.16666	0.33333	0.50000
5	0.00000	0.83333	0.50000
6	0.50000	0.16667	0.50000
(1/3,2/3,0) + set click here to show and hide
7	0.33333	0.83334	0.00000
8	0.50000	0.50000	0.00000
9	0.83334	0.00000	0.00000
10	0.50000	0.00000	0.50000
11	0.33333	0.50000	0.50000
12	0.83334	0.83334	0.50000
(2/3,1/3,0) + set click here to show and hide
13	0.66667	0.50000	0.00000
14	0.83333	0.16666	0.00000
15	0.16667	0.66667	0.00000
16	0.83333	0.66667	0.50000
17	0.66667	0.16666	0.50000
18	0.16667	0.50000	0.50000
(0,0,1/2)' + set click here to show and hide
19	0.00000	0.16667	0.50000
20	0.16666	0.83333	0.50000
21	0.50000	0.33333	0.50000
22	0.16666	0.33333	0.00000
23	0.00000	0.83333	0.00000
24	0.50000	0.16667	0.00000
(1/3,2/3,1/2)' + set click here to show and hide
25	0.33333	0.83334	0.50000
26	0.50000	0.50000	0.50000
27	0.83334	0.00000	0.50000
28	0.50000	0.00000	0.00000
29	0.33333	0.50000	0.00000
30	0.83334	0.83334	0.00000
(2/3,1/3,1/2)' + set click here to show and hide
31	0.66667	0.50000	0.50000
32	0.83333	0.16666	0.50000
33	0.16667	0.66667	0.50000
34	0.83333	0.66667	0.00000
35	0.66667	0.16666	0.00000
36	0.16667	0.50000	0.00000

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

Atom	x	y	z
1	0.05590	0.94410	0.16595
2	0.38923	0.11180	0.16595
3	0.22153	0.27743	0.16595
4	0.38923	0.27743	0.66595
5	0.05590	0.11180	0.66595
6	0.22153	0.94410	0.66595
(1/3,2/3,0) + set click here to show and hide
7	0.38923	0.61077	0.16595
8	0.72257	0.77847	0.16595
9	0.55487	0.94410	0.16595
10	0.72257	0.94410	0.66595
11	0.38923	0.77847	0.66595
12	0.55487	0.61077	0.66595
(2/3,1/3,0) + set click here to show and hide
13	0.72257	0.27743	0.16595
14	0.05590	0.44513	0.16595
15	0.88820	0.61077	0.16595
16	0.05590	0.61077	0.66595
17	0.72257	0.44513	0.66595
18	0.88820	0.27743	0.66595
(0,0,1/2)' + set click here to show and hide
19	0.05590	0.94410	0.66595
20	0.38923	0.11180	0.66595
21	0.22153	0.27743	0.66595
22	0.38923	0.27743	0.16595
23	0.05590	0.11180	0.16595
24	0.22153	0.94410	0.16595
(1/3,2/3,1/2)' + set click here to show and hide
25	0.38923	0.61077	0.66595
26	0.72257	0.77847	0.66595
27	0.55487	0.94410	0.66595
28	0.72257	0.94410	0.16595
29	0.38923	0.77847	0.16595
30	0.55487	0.61077	0.16595
(2/3,1/3,1/2)' + set click here to show and hide
31	0.72257	0.27743	0.66595
32	0.05590	0.44513	0.66595
33	0.88820	0.61077	0.66595
34	0.05590	0.61077	0.16595
35	0.72257	0.44513	0.16595
36	0.88820	0.27743	0.16595

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

Atom	x	y	z
1	0.88820	0.94410	0.16595
2	0.38923	0.94410	0.16595
3	0.38923	0.44513	0.16595
(1/3,2/3,0) + set click here to show and hide
4	0.22153	0.61077	0.16595
5	0.72257	0.61077	0.16595
6	0.72257	0.11180	0.16595
(2/3,1/3,0) + set click here to show and hide
7	0.55487	0.27743	0.16595
8	0.05590	0.27743	0.16595
9	0.05590	0.77847	0.16595
(0,0,1/2)' + set click here to show and hide
10	0.88820	0.94410	0.66595
11	0.38923	0.94410	0.66595
12	0.38923	0.44513	0.66595
(1/3,2/3,1/2)' + set click here to show and hide
13	0.22153	0.61077	0.66595
14	0.72257	0.61077	0.66595
15	0.72257	0.11180	0.66595
(2/3,1/3,1/2)' + set click here to show and hide
16	0.55487	0.27743	0.66595
17	0.05590	0.27743	0.66595
18	0.05590	0.77847	0.66595

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

Atom	x	y	z
1	0.94410	0.05590	0.83405
2	0.27743	0.88820	0.83405
3	0.44513	0.38923	0.83405
4	0.27743	0.38923	0.33405
5	0.94410	0.88820	0.33405
6	0.44513	0.05590	0.33405
(1/3,2/3,0) + set click here to show and hide
7	0.27743	0.72257	0.83405
8	0.61077	0.55487	0.83405
9	0.77847	0.05590	0.83405
10	0.61077	0.05590	0.33405
11	0.27743	0.55487	0.33405
12	0.77847	0.72257	0.33405
(2/3,1/3,0) + set click here to show and hide
13	0.61077	0.38923	0.83405
14	0.94410	0.22153	0.83405
15	0.11180	0.72257	0.83405
16	0.94410	0.72257	0.33405
17	0.61077	0.22153	0.33405
18	0.11180	0.38923	0.33405
(0,0,1/2)' + set click here to show and hide
19	0.94410	0.05590	0.33405
20	0.27743	0.88820	0.33405
21	0.44513	0.38923	0.33405
22	0.27743	0.38923	0.83405
23	0.94410	0.88820	0.83405
24	0.44513	0.05590	0.83405
(1/3,2/3,1/2)' + set click here to show and hide
25	0.27743	0.72257	0.33405
26	0.61077	0.55487	0.33405
27	0.77847	0.05590	0.33405
28	0.61077	0.05590	0.83405
29	0.27743	0.55487	0.83405
30	0.77847	0.72257	0.83405
(2/3,1/3,1/2)' + set click here to show and hide
31	0.61077	0.38923	0.33405
32	0.94410	0.22153	0.33405
33	0.11180	0.72257	0.33405
34	0.94410	0.72257	0.83405
35	0.61077	0.22153	0.83405
36	0.11180	0.38923	0.83405

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

Atom	x	y	z
1	0.11180	0.05590	0.83405
2	0.27743	0.05590	0.83405
3	0.27743	0.22153	0.83405
(1/3,2/3,0) + set click here to show and hide
4	0.44513	0.72257	0.83405
5	0.61077	0.72257	0.83405
6	0.61077	0.88820	0.83405
(2/3,1/3,0) + set click here to show and hide
7	0.77847	0.38923	0.83405
8	0.94410	0.38923	0.83405
9	0.94410	0.55487	0.83405
(0,0,1/2)' + set click here to show and hide
10	0.11180	0.05590	0.33405
11	0.27743	0.05590	0.33405
12	0.27743	0.22153	0.33405
(1/3,2/3,1/2)' + set click here to show and hide
13	0.44513	0.72257	0.33405
14	0.61077	0.72257	0.33405
15	0.61077	0.88820	0.33405
(2/3,1/3,1/2)' + set click here to show and hide
16	0.77847	0.38923	0.33405
17	0.94410	0.38923	0.33405
18	0.94410	0.55487	0.33405

[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	0.25000	18	2m_y,m_y,m_z	1.18	0.59	0.0	1.02

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mH3	4	2	special	primary	1
mA1-	1	1		secondary	1

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

Ba₃CoNb₂O₉ (#1.665)

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

Ba3CoNb2O9 (#1.665)

Ba₃CoNb₂O₉ (#1.665)