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

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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	0.50000	9	m_x,m_x,0	-4.91	-4.91	0.0	4.91

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Nb1_1	Nb	0.11111	0.22222	0.17620	9
Nb1_2	Nb	0.22222	0.11111	0.82380	6
Nb1_3	Nb	0.22222	0.77778	0.82380	3
Ba1_1	Ba	0.11111	0.22222	0.66170	9
Ba1_2	Ba	0.22222	0.11111	0.33830	6
Ba1_3	Ba	0.22222	0.77778	0.33830	3
Ba2	Ba	0.00000	0.00000	0.00000	9
O1_1	O	0.16667	0.00000	0.00000	18
O1_2	O	0.00000	0.16667	0.00000	9
O2_1	O	0.05753	0.94247	0.32290	9
O2_2	O	0.05753	0.11507	0.32290	18
O2_3	O	0.94247	0.05753	0.67710	9
O2_4	O	0.11507	0.05753	0.67710	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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	m_x,m_x,0	-4.91000	-4.91000	0.00000
2	0.00000	0.33333	0.50000	-m_x,0,0	4.91000	0.00000	0.00000
3	0.66667	0.00000	0.50000	0,-m_x,0	0.00000	4.91000	0.00000
(1/3,2/3,0) + set click here to show and hide
4	0.33333	0.66667	0.50000	m_x,m_x,0	-4.91000	-4.91000	0.00000
5	0.33333	0.00000	0.50000	-m_x,0,0	4.91000	0.00000	0.00000
6	0.00000	0.66667	0.50000	0,-m_x,0	0.00000	4.91000	0.00000
(2/3,1/3,0) + set click here to show and hide
7	0.66667	0.33333	0.50000	m_x,m_x,0	-4.91000	-4.91000	0.00000
8	0.66667	0.66667	0.50000	-m_x,0,0	4.91000	0.00000	0.00000
9	0.33333	0.33333	0.50000	0,-m_x,0	0.00000	4.91000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.11111	0.22222	0.17620
2	0.77778	0.22222	0.17620
3	0.77778	0.88889	0.17620
(1/3,2/3,0) + set click here to show and hide
4	0.44444	0.88889	0.17620
5	0.11111	0.88889	0.17620
6	0.11111	0.55556	0.17620
(2/3,1/3,0) + set click here to show and hide
7	0.77778	0.55555	0.17620
8	0.44445	0.55556	0.17620
9	0.44444	0.22222	0.17620

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

Atom	x	y	z
1	0.22222	0.11111	0.82380
2	0.88889	0.77778	0.82380
(1/3,2/3,0) + set click here to show and hide
3	0.55555	0.77778	0.82380
4	0.22222	0.44445	0.82380
(2/3,1/3,0) + set click here to show and hide
5	0.88889	0.44444	0.82380
6	0.55556	0.11111	0.82380

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

Atom	x	y	z
1	0.22222	0.77778	0.82380
(1/3,2/3,0) + set click here to show and hide
2	0.55555	0.44445	0.82380
(2/3,1/3,0) + set click here to show and hide
3	0.88889	0.11111	0.82380

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

Atom	x	y	z
1	0.11111	0.22222	0.66170
2	0.77778	0.22222	0.66170
3	0.77778	0.88889	0.66170
(1/3,2/3,0) + set click here to show and hide
4	0.44444	0.88889	0.66170
5	0.11111	0.88889	0.66170
6	0.11111	0.55556	0.66170
(2/3,1/3,0) + set click here to show and hide
7	0.77778	0.55555	0.66170
8	0.44445	0.55556	0.66170
9	0.44444	0.22222	0.66170

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

Atom	x	y	z
1	0.22222	0.11111	0.33830
2	0.88889	0.77778	0.33830
(1/3,2/3,0) + set click here to show and hide
3	0.55555	0.77778	0.33830
4	0.22222	0.44445	0.33830
(2/3,1/3,0) + set click here to show and hide
5	0.88889	0.44444	0.33830
6	0.55556	0.11111	0.33830

Set of atoms in the unit cell related by symmetry with the atom Ba1_3:

Atom	x	y	z
1	0.22222	0.77778	0.33830
(1/3,2/3,0) + set click here to show and hide
2	0.55555	0.44445	0.33830
(2/3,1/3,0) + set click here to show and hide
3	0.88889	0.11111	0.33830

Set of atoms in the unit cell related by symmetry with the atom Ba2:

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.00000	0.33333	0.00000
3	0.66667	0.00000	0.00000
(1/3,2/3,0) + set click here to show and hide
4	0.33333	0.66667	0.00000
5	0.33333	0.00000	0.00000
6	0.00000	0.66667	0.00000
(2/3,1/3,0) + set click here to show and hide
7	0.66667	0.33333	0.00000
8	0.66667	0.66667	0.00000
9	0.33333	0.33333	0.00000

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

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	0.83333	0.16666	0.00000
3	0.83334	0.00000	0.00000
(1/3,2/3,0) + set click here to show and hide
4	0.33333	0.83334	0.00000
5	0.16666	0.83333	0.00000
6	0.16667	0.66667	0.00000
(2/3,1/3,0) + set click here to show and hide
7	0.66667	0.50000	0.00000
8	0.50000	0.50000	0.00000
9	0.50000	0.33333	0.00000

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

Atom	x	y	z
1	0.05753	0.94247	0.32290
2	0.05753	0.44839	0.32290
3	0.55161	0.94247	0.32290
(1/3,2/3,0) + set click here to show and hide
4	0.39086	0.60914	0.32290
5	0.39086	0.11506	0.32290
6	0.88494	0.60914	0.32290
(2/3,1/3,0) + set click here to show and hide
7	0.72420	0.27580	0.32290
8	0.72420	0.78173	0.32290
9	0.21827	0.27580	0.32290

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

Atom	x	y	z
1	0.05753	0.11507	0.32290
2	0.88493	0.27579	0.32290
3	0.72421	0.94247	0.32290
4	0.88493	0.94247	0.32290
5	0.05753	0.27579	0.32290
6	0.72421	0.11507	0.32290
(1/3,2/3,0) + set click here to show and hide
7	0.39086	0.78174	0.32290
8	0.21826	0.94246	0.32290
9	0.05754	0.60914	0.32290
10	0.21826	0.60914	0.32290
11	0.39086	0.94246	0.32290
12	0.05754	0.78174	0.32290
(2/3,1/3,0) + set click here to show and hide
13	0.72420	0.44840	0.32290
14	0.55160	0.60913	0.32290
15	0.39087	0.27580	0.32290
16	0.55160	0.27580	0.32290
17	0.72420	0.60913	0.32290
18	0.39087	0.44840	0.32290

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

Atom	x	y	z
1	0.94247	0.05753	0.67710
2	0.94247	0.21827	0.67710
3	0.78173	0.05753	0.67710
(1/3,2/3,0) + set click here to show and hide
4	0.27580	0.72420	0.67710
5	0.27580	0.88494	0.67710
6	0.11506	0.72420	0.67710
(2/3,1/3,0) + set click here to show and hide
7	0.60914	0.39086	0.67710
8	0.60914	0.55161	0.67710
9	0.44839	0.39086	0.67710

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

Atom	x	y	z
1	0.11507	0.05753	0.67710
2	0.94247	0.39087	0.67710
3	0.60913	0.88493	0.67710
4	0.94247	0.88493	0.67710
5	0.11507	0.39087	0.67710
6	0.60913	0.05753	0.67710
(1/3,2/3,0) + set click here to show and hide
7	0.44840	0.72420	0.67710
8	0.27580	0.05754	0.67710
9	0.94246	0.55160	0.67710
10	0.27580	0.55160	0.67710
11	0.44840	0.05754	0.67710
12	0.94246	0.72420	0.67710
(2/3,1/3,0) + set click here to show and hide
13	0.78174	0.39086	0.67710
14	0.60914	0.72421	0.67710
15	0.27579	0.21826	0.67710
16	0.60914	0.21826	0.67710
17	0.78174	0.72421	0.67710
18	0.27579	0.39086	0.67710

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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	0.50000	9	m_x,m_x,0	-4.91	-4.91	0.0	4.91

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mK3	4	2	special	primary	1

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

Ba₃MnNb₂O₉ (#1.0.8)

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

Ba3MnNb2O9 (#1.0.8)

Ba₃MnNb₂O₉ (#1.0.8)