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,-y+1/2,-z,+1	{ -1 \| 0 1/2 0 }
(1/6,5/6,2/3) + set click here to show and hide
3	x+1/6,y+5/6,z+2/3,+1	{ 1 \| 1/6 5/6 2/3 }
4	-x+1/6,-y+1/3,-z+2/3,+1	{ -1 \| 1/6 1/3 2/3 }
(1/3,2/3,1/3) + set click here to show and hide
5	x+1/3,y+2/3,z+1/3,+1	{ 1 \| 1/3 2/3 1/3 }
6	-x+1/3,-y+1/6,-z+1/3,+1	{ -1 \| 1/3 1/6 1/3 }
(1/2,1/2,0) + set click here to show and hide
7	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
8	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
(2/3,1/3,2/3) + set click here to show and hide
9	x+2/3,y+1/3,z+2/3,+1	{ 1 \| 2/3 1/3 2/3 }
10	-x+2/3,-y+5/6,-z+2/3,+1	{ -1 \| 2/3 5/6 2/3 }
(5/6,1/6,1/3) + set click here to show and hide
11	x+5/6,y+1/6,z+1/3,+1	{ 1 \| 5/6 1/6 1/3 }
12	-x+5/6,-y+2/3,-z+1/3,+1	{ -1 \| 5/6 2/3 1/3 }
(5/6,2/3,1/3)' + set click here to show and hide
13	x+5/6,y+2/3,z+1/3,-1	{ 1' \| 5/6 2/3 1/3 }
14	-x+5/6,-y+1/6,-z+1/3,-1	{ -1' \| 5/6 1/6 1/3 }
(0,1/2,0)' + set click here to show and hide
15	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
16	-x,-y,-z,-1	{ -1' \| 0 }
(1/6,1/3,2/3)' + set click here to show and hide
17	x+1/6,y+1/3,z+2/3,-1	{ 1' \| 1/6 1/3 2/3 }
18	-x+1/6,-y+5/6,-z+2/3,-1	{ -1' \| 1/6 5/6 2/3 }
(1/3,1/6,1/3)' + set click here to show and hide
19	x+1/3,y+1/6,z+1/3,-1	{ 1' \| 1/3 1/6 1/3 }
20	-x+1/3,-y+2/3,-z+1/3,-1	{ -1' \| 1/3 2/3 1/3 }
(1/2,0,0)' + set click here to show and hide
21	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
22	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
(2/3,5/6,2/3)' + set click here to show and hide
23	x+2/3,y+5/6,z+2/3,-1	{ 1' \| 2/3 5/6 2/3 }
24	-x+2/3,-y+1/3,-z+2/3,-1	{ -1' \| 2/3 1/3 2/3 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,-y,-z,-1	-1'

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	0.16084	24	m_x,m_y,m_z	0.99	0.88	1.75	1.99

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Zn1	Zn	0.00000	0.00000	0.36722	24
O1_1	O	0.16148	0.01413	0.24401	24
O1_2	O	0.98587	0.14736	0.24401	24
O1_3	O	0.85264	0.83852	0.24401	24

[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	0.16084	m_x,m_y,m_z	0.99000	0.88000	1.75000
2	0.00000	0.50000	0.83916	m_x,m_y,m_z	0.99000	0.88000	1.75000
(1/6,5/6,2/3) + set click here to show and hide
3	0.16667	0.83333	0.82751	m_x,m_y,m_z	0.99000	0.88000	1.75000
4	0.16667	0.33333	0.50583	m_x,m_y,m_z	0.99000	0.88000	1.75000
(1/3,2/3,1/3) + set click here to show and hide
5	0.33333	0.66667	0.49417	m_x,m_y,m_z	0.99000	0.88000	1.75000
6	0.33333	0.16667	0.17249	m_x,m_y,m_z	0.99000	0.88000	1.75000
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.50000	0.16084	m_x,m_y,m_z	0.99000	0.88000	1.75000
8	0.50000	0.00000	0.83916	m_x,m_y,m_z	0.99000	0.88000	1.75000
(2/3,1/3,2/3) + set click here to show and hide
9	0.66667	0.33333	0.82751	m_x,m_y,m_z	0.99000	0.88000	1.75000
10	0.66667	0.83333	0.50583	m_x,m_y,m_z	0.99000	0.88000	1.75000
(5/6,1/6,1/3) + set click here to show and hide
11	0.83333	0.16667	0.49417	m_x,m_y,m_z	0.99000	0.88000	1.75000
12	0.83333	0.66667	0.17249	m_x,m_y,m_z	0.99000	0.88000	1.75000
(5/6,2/3,1/3)' + set click here to show and hide
13	0.83333	0.66667	0.49417	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
14	0.83333	0.16667	0.17249	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
(0,1/2,0)' + set click here to show and hide
15	0.00000	0.50000	0.16084	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
16	0.00000	0.00000	0.83916	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
(1/6,1/3,2/3)' + set click here to show and hide
17	0.16667	0.33333	0.82751	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
18	0.16667	0.83333	0.50583	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
(1/3,1/6,1/3)' + set click here to show and hide
19	0.33333	0.16667	0.49417	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
20	0.33333	0.66667	0.17249	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
(1/2,0,0)' + set click here to show and hide
21	0.50000	0.00000	0.16084	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
22	0.50000	0.50000	0.83916	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
(2/3,5/6,2/3)' + set click here to show and hide
23	0.66667	0.83333	0.82751	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
24	0.66667	0.33333	0.50583	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Zn1:

Atom	x	y	z
1	0.00000	0.00000	0.36722
2	0.00000	0.50000	0.63278
(1/6,5/6,2/3) + set click here to show and hide
3	0.16667	0.83333	0.03389
4	0.16667	0.33333	0.29945
(1/3,2/3,1/3) + set click here to show and hide
5	0.33333	0.66667	0.70055
6	0.33333	0.16667	0.96611
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.50000	0.36722
8	0.50000	0.00000	0.63278
(2/3,1/3,2/3) + set click here to show and hide
9	0.66667	0.33333	0.03389
10	0.66667	0.83333	0.29945
(5/6,1/6,1/3) + set click here to show and hide
11	0.83333	0.16667	0.70055
12	0.83333	0.66667	0.96611
(5/6,2/3,1/3)' + set click here to show and hide
13	0.83333	0.66667	0.70055
14	0.83333	0.16667	0.96611
(0,1/2,0)' + set click here to show and hide
15	0.00000	0.50000	0.36722
16	0.00000	0.00000	0.63278
(1/6,1/3,2/3)' + set click here to show and hide
17	0.16667	0.33333	0.03389
18	0.16667	0.83333	0.29945
(1/3,1/6,1/3)' + set click here to show and hide
19	0.33333	0.16667	0.70055
20	0.33333	0.66667	0.96611
(1/2,0,0)' + set click here to show and hide
21	0.50000	0.00000	0.36722
22	0.50000	0.50000	0.63278
(2/3,5/6,2/3)' + set click here to show and hide
23	0.66667	0.83333	0.03389
24	0.66667	0.33333	0.29945

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

Atom	x	y	z
1	0.16148	0.01413	0.24401
2	0.83852	0.48587	0.75599
(1/6,5/6,2/3) + set click here to show and hide
3	0.32815	0.84746	0.91068
4	0.00519	0.31920	0.42266
(1/3,2/3,1/3) + set click here to show and hide
5	0.49481	0.68080	0.57734
6	0.17185	0.15254	0.08932
(1/2,1/2,0) + set click here to show and hide
7	0.66148	0.51413	0.24401
8	0.33852	0.98587	0.75599
(2/3,1/3,2/3) + set click here to show and hide
9	0.82815	0.34746	0.91068
10	0.50519	0.81920	0.42266
(5/6,1/6,1/3) + set click here to show and hide
11	0.99481	0.18080	0.57734
12	0.67185	0.65254	0.08932
(5/6,2/3,1/3)' + set click here to show and hide
13	0.99481	0.68080	0.57734
14	0.67185	0.15254	0.08932
(0,1/2,0)' + set click here to show and hide
15	0.16148	0.51413	0.24401
16	0.83852	0.98587	0.75599
(1/6,1/3,2/3)' + set click here to show and hide
17	0.32815	0.34746	0.91068
18	0.00519	0.81920	0.42266
(1/3,1/6,1/3)' + set click here to show and hide
19	0.49481	0.18080	0.57734
20	0.17185	0.65254	0.08932
(1/2,0,0)' + set click here to show and hide
21	0.66148	0.01413	0.24401
22	0.33852	0.48587	0.75599
(2/3,5/6,2/3)' + set click here to show and hide
23	0.82815	0.84746	0.91068
24	0.50519	0.31920	0.42266

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

Atom	x	y	z
1	0.98587	0.14736	0.24401
2	0.01413	0.35264	0.75599
(1/6,5/6,2/3) + set click here to show and hide
3	0.15254	0.98069	0.91068
4	0.18080	0.18597	0.42266
(1/3,2/3,1/3) + set click here to show and hide
5	0.31920	0.81403	0.57734
6	0.34746	0.01931	0.08932
(1/2,1/2,0) + set click here to show and hide
7	0.48587	0.64736	0.24401
8	0.51413	0.85264	0.75599
(2/3,1/3,2/3) + set click here to show and hide
9	0.65254	0.48069	0.91068
10	0.68080	0.68597	0.42266
(5/6,1/6,1/3) + set click here to show and hide
11	0.81920	0.31403	0.57734
12	0.84746	0.51931	0.08932
(5/6,2/3,1/3)' + set click here to show and hide
13	0.81920	0.81403	0.57734
14	0.84746	0.01931	0.08932
(0,1/2,0)' + set click here to show and hide
15	0.98587	0.64736	0.24401
16	0.01413	0.85264	0.75599
(1/6,1/3,2/3)' + set click here to show and hide
17	0.15254	0.48069	0.91068
18	0.18080	0.68597	0.42266
(1/3,1/6,1/3)' + set click here to show and hide
19	0.31920	0.31403	0.57734
20	0.34746	0.51931	0.08932
(1/2,0,0)' + set click here to show and hide
21	0.48587	0.14736	0.24401
22	0.51413	0.35264	0.75599
(2/3,5/6,2/3)' + set click here to show and hide
23	0.65254	0.98069	0.91068
24	0.68080	0.18597	0.42266

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

Atom	x	y	z
1	0.85264	0.83852	0.24401
2	0.14736	0.66148	0.75599
(1/6,5/6,2/3) + set click here to show and hide
3	0.01931	0.67185	0.91068
4	0.31403	0.49481	0.42266
(1/3,2/3,1/3) + set click here to show and hide
5	0.18597	0.50519	0.57734
6	0.48069	0.32815	0.08932
(1/2,1/2,0) + set click here to show and hide
7	0.35264	0.33852	0.24401
8	0.64736	0.16148	0.75599
(2/3,1/3,2/3) + set click here to show and hide
9	0.51931	0.17185	0.91068
10	0.81403	0.99481	0.42266
(5/6,1/6,1/3) + set click here to show and hide
11	0.68597	0.00519	0.57734
12	0.98069	0.82815	0.08932
(5/6,2/3,1/3)' + set click here to show and hide
13	0.68597	0.50519	0.57734
14	0.98069	0.32815	0.08932
(0,1/2,0)' + set click here to show and hide
15	0.85264	0.33852	0.24401
16	0.14736	0.16148	0.75599
(1/6,1/3,2/3)' + set click here to show and hide
17	0.01931	0.17185	0.91068
18	0.31403	0.99481	0.42266
(1/3,1/6,1/3)' + set click here to show and hide
19	0.18597	0.00519	0.57734
20	0.48069	0.82815	0.08932
(1/2,0,0)' + set click here to show and hide
21	0.35264	0.83852	0.24401
22	0.64736	0.66148	0.75599
(2/3,5/6,2/3)' + set click here to show and hide
23	0.51931	0.67185	0.91068
24	0.81403	0.49481	0.42266

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.16084	24	m_x,m_y,m_z	0.99	0.88	1.75	1.99

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

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

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	0.16084	m_x,m_y,m_z	0.99000	0.88000	1.75000
2	0.00000	0.50000	0.83916	m_x,m_y,m_z	0.99000	0.88000	1.75000
(1/6,5/6,2/3) + set click here to show and hide
3	0.16667	0.83333	0.82751	m_x,m_y,m_z	0.99000	0.88000	1.75000
4	0.16667	0.33333	0.50583	m_x,m_y,m_z	0.99000	0.88000	1.75000
(1/3,2/3,1/3) + set click here to show and hide
5	0.33333	0.66667	0.49417	m_x,m_y,m_z	0.99000	0.88000	1.75000
6	0.33333	0.16667	0.17249	m_x,m_y,m_z	0.99000	0.88000	1.75000
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.50000	0.16084	m_x,m_y,m_z	0.99000	0.88000	1.75000
8	0.50000	0.00000	0.83916	m_x,m_y,m_z	0.99000	0.88000	1.75000
(2/3,1/3,2/3) + set click here to show and hide
9	0.66667	0.33333	0.82751	m_x,m_y,m_z	0.99000	0.88000	1.75000
10	0.66667	0.83333	0.50583	m_x,m_y,m_z	0.99000	0.88000	1.75000
(5/6,1/6,1/3) + set click here to show and hide
11	0.83333	0.16667	0.49417	m_x,m_y,m_z	0.99000	0.88000	1.75000
12	0.83333	0.66667	0.17249	m_x,m_y,m_z	0.99000	0.88000	1.75000
(5/6,2/3,1/3)' + set click here to show and hide
13	0.83333	0.66667	0.49417	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
14	0.83333	0.16667	0.17249	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
(0,1/2,0)' + set click here to show and hide
15	0.00000	0.50000	0.16084	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
16	0.00000	0.00000	0.83916	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
(1/6,1/3,2/3)' + set click here to show and hide
17	0.16667	0.33333	0.82751	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
18	0.16667	0.83333	0.50583	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
(1/3,1/6,1/3)' + set click here to show and hide
19	0.33333	0.16667	0.49417	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
20	0.33333	0.66667	0.17249	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
(1/2,0,0)' + set click here to show and hide
21	0.50000	0.00000	0.16084	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
22	0.50000	0.50000	0.83916	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
(2/3,5/6,2/3)' + set click here to show and hide
23	0.66667	0.83333	0.82751	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000
24	0.66667	0.33333	0.50583	-m_x,-m_y,-m_z	-0.99000	-0.88000	-1.75000

[Hide]

label	dim. small irrep	dim. full irrep	action	number of modes
mF1-	1	3	primary	3

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

ZnMnO₃ (#1.304)

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

ZnMnO3 (#1.304)

ZnMnO₃ (#1.304)