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+1/4,-z+1/8,+1	{ 2₁₀₀ \| 0 1/4 1/8 }
3	-x+3/4,y+1/2,-z+1/8,+1	{ 2₀₁₀ \| 3/4 1/2 1/8 }
4	-x+3/4,-y+3/4,z,+1	{ 2₀₀₁ \| 3/4 3/4 0 }
5	y,-x+3/4,-z+7/8,+1	{ -4⁺₀₀₁ \| 0 3/4 7/8 }
6	-y+3/4,x,-z+7/8,+1	{ -4^-₀₀₁ \| 3/4 0 7/8 }
7	-y+3/4,-x+1/4,z+1/4,+1	{ m₁₁₀ \| 3/4 1/4 1/4 }
8	y,x+1/2,z+1/4,+1	{ m_1-10 \| 0 1/2 1/4 }
(1/2,1/2,1/2) + set click here to show and hide
9	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
10	x+1/2,-y+3/4,-z+5/8,+1	{ 2₁₀₀ \| 1/2 3/4 5/8 }
11	-x+1/4,y,-z+5/8,+1	{ 2₀₁₀ \| 1/4 0 5/8 }
12	-x+1/4,-y+1/4,z+1/2,+1	{ 2₀₀₁ \| 1/4 1/4 1/2 }
13	y+1/2,-x+1/4,-z+3/8,+1	{ -4⁺₀₀₁ \| 1/2 1/4 3/8 }
14	-y+1/4,x+1/2,-z+3/8,+1	{ -4^-₀₀₁ \| 1/4 1/2 3/8 }
15	-y+1/4,-x+3/4,z+3/4,+1	{ m₁₁₀ \| 1/4 3/4 3/4 }
16	y+1/2,x,z+3/4,+1	{ m_1-10 \| 1/2 0 3/4 }
(0,0,1/2)' + set click here to show and hide
17	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
18	x,-y+1/4,-z+5/8,-1	{ 2'₁₀₀ \| 0 1/4 5/8 }
19	-x+3/4,y+1/2,-z+5/8,-1	{ 2'₀₁₀ \| 3/4 1/2 5/8 }
20	-x+3/4,-y+3/4,z+1/2,-1	{ 2'₀₀₁ \| 3/4 3/4 1/2 }
21	y,-x+3/4,-z+3/8,-1	{ -4'⁺₀₀₁ \| 0 3/4 3/8 }
22	-y+3/4,x,-z+3/8,-1	{ -4'^-₀₀₁ \| 3/4 0 3/8 }
23	-y+3/4,-x+1/4,z+3/4,-1	{ m'₁₁₀ \| 3/4 1/4 3/4 }
24	y,x+1/2,z+3/4,-1	{ m'_1-10 \| 0 1/2 3/4 }
(1/2,1/2,0)' + set click here to show and hide
25	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
26	x+1/2,-y+3/4,-z+1/8,-1	{ 2'₁₀₀ \| 1/2 3/4 1/8 }
27	-x+1/4,y,-z+1/8,-1	{ 2'₀₁₀ \| 1/4 0 1/8 }
28	-x+1/4,-y+1/4,z,-1	{ 2'₀₀₁ \| 1/4 1/4 0 }
29	y+1/2,-x+1/4,-z+7/8,-1	{ -4'⁺₀₀₁ \| 1/2 1/4 7/8 }
30	-y+1/4,x+1/2,-z+7/8,-1	{ -4'^-₀₀₁ \| 1/4 1/2 7/8 }
31	-y+1/4,-x+3/4,z+1/4,-1	{ m'₁₁₀ \| 1/4 3/4 1/4 }
32	y+1/2,x,z+1/4,-1	{ m'_1-10 \| 1/2 0 1/4 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	y,-x,-z,+1	-4⁺₀₀₁
6	-y,x,-z,+1	-4^-₀₀₁
7	-y,-x,z,+1	m₁₁₀
8	y,x,z,+1	m_1-10
1' + set click here to show and hide
9	x,y,z,-1	1'
10	x,-y,-z,-1	2'₁₀₀
11	-x,y,-z,-1	2'₀₁₀
12	-x,-y,z,-1	2'₀₀₁
13	y,-x,-z,-1	-4'⁺₀₀₁
14	-y,x,-z,-1	-4'^-₀₀₁
15	-y,-x,z,-1	m'₁₁₀
16	y,x,z,-1	m'_1-10

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	32	m_x,m_y,m_z	-4.	0.0	0.0	4.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Zn1_1	Zn	0.37500	0.37500	0.18750	8
Zn1_2	Zn	0.12500	0.62500	0.06250	8
O1_1	O	0.75940	0.75940	0.37970	32
O1_2	O	0.50940	0.00940	0.87030	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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	-4.00000	0.00000	0.00000
2	0.00000	0.25000	0.12500	m_x,-m_y,-m_z	-4.00000	0.00000	0.00000
3	0.75000	0.50000	0.12500	-m_x,m_y,-m_z	4.00000	0.00000	0.00000
4	0.75000	0.75000	0.00000	-m_x,-m_y,m_z	4.00000	0.00000	0.00000
5	0.00000	0.75000	0.87500	-m_y,m_x,m_z	0.00000	-4.00000	0.00000
6	0.75000	0.00000	0.87500	m_y,-m_x,m_z	0.00000	4.00000	0.00000
7	0.75000	0.25000	0.25000	m_y,m_x,-m_z	0.00000	-4.00000	0.00000
8	0.00000	0.50000	0.25000	-m_y,-m_x,-m_z	0.00000	4.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
9	0.50000	0.50000	0.50000	m_x,m_y,m_z	-4.00000	0.00000	0.00000
10	0.50000	0.75000	0.62500	m_x,-m_y,-m_z	-4.00000	0.00000	0.00000
11	0.25000	0.00000	0.62500	-m_x,m_y,-m_z	4.00000	0.00000	0.00000
12	0.25000	0.25000	0.50000	-m_x,-m_y,m_z	4.00000	0.00000	0.00000
13	0.50000	0.25000	0.37500	-m_y,m_x,m_z	0.00000	-4.00000	0.00000
14	0.25000	0.50000	0.37500	m_y,-m_x,m_z	0.00000	4.00000	0.00000
15	0.25000	0.75000	0.75000	m_y,m_x,-m_z	0.00000	-4.00000	0.00000
16	0.50000	0.00000	0.75000	-m_y,-m_x,-m_z	0.00000	4.00000	0.00000
(0,0,1/2)' + set click here to show and hide
17	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	4.00000	0.00000	0.00000
18	0.00000	0.25000	0.62500	-m_x,m_y,m_z	4.00000	0.00000	0.00000
19	0.75000	0.50000	0.62500	m_x,-m_y,m_z	-4.00000	0.00000	0.00000
20	0.75000	0.75000	0.50000	m_x,m_y,-m_z	-4.00000	0.00000	0.00000
21	0.00000	0.75000	0.37500	m_y,-m_x,-m_z	0.00000	4.00000	0.00000
22	0.75000	0.00000	0.37500	-m_y,m_x,-m_z	0.00000	-4.00000	0.00000
23	0.75000	0.25000	0.75000	-m_y,-m_x,m_z	0.00000	4.00000	0.00000
24	0.00000	0.50000	0.75000	m_y,m_x,m_z	0.00000	-4.00000	0.00000
(1/2,1/2,0)' + set click here to show and hide
25	0.50000	0.50000	0.00000	-m_x,-m_y,-m_z	4.00000	0.00000	0.00000
26	0.50000	0.75000	0.12500	-m_x,m_y,m_z	4.00000	0.00000	0.00000
27	0.25000	0.00000	0.12500	m_x,-m_y,m_z	-4.00000	0.00000	0.00000
28	0.25000	0.25000	0.00000	m_x,m_y,-m_z	-4.00000	0.00000	0.00000
29	0.50000	0.25000	0.87500	m_y,-m_x,-m_z	0.00000	4.00000	0.00000
30	0.25000	0.50000	0.87500	-m_y,m_x,-m_z	0.00000	-4.00000	0.00000
31	0.25000	0.75000	0.25000	-m_y,-m_x,m_z	0.00000	4.00000	0.00000
32	0.50000	0.00000	0.25000	m_y,m_x,m_z	0.00000	-4.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Zn1_1:

Atom	x	y	z
1	0.37500	0.37500	0.18750
2	0.37500	0.87500	0.93750
(1/2,1/2,1/2) + set click here to show and hide
3	0.87500	0.87500	0.68750
4	0.87500	0.37500	0.43750
(0,0,1/2)' + set click here to show and hide
5	0.37500	0.37500	0.68750
6	0.37500	0.87500	0.43750
(1/2,1/2,0)' + set click here to show and hide
7	0.87500	0.87500	0.18750
8	0.87500	0.37500	0.93750

Set of atoms in the unit cell related by symmetry with the atom Zn1_2:

Atom	x	y	z
1	0.12500	0.62500	0.06250
2	0.62500	0.62500	0.81250
(1/2,1/2,1/2) + set click here to show and hide
3	0.62500	0.12500	0.56250
4	0.12500	0.12500	0.31250
(0,0,1/2)' + set click here to show and hide
5	0.12500	0.62500	0.56250
6	0.62500	0.62500	0.31250
(1/2,1/2,0)' + set click here to show and hide
7	0.62500	0.12500	0.06250
8	0.12500	0.12500	0.81250

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

Atom	x	y	z
1	0.75940	0.75940	0.37970
2	0.75940	0.49060	0.74530
3	0.99060	0.25940	0.74530
4	0.99060	0.99060	0.37970
5	0.75940	0.99060	0.49530
6	0.99060	0.75940	0.49530
7	0.99060	0.49060	0.62970
8	0.75940	0.25940	0.62970
(1/2,1/2,1/2) + set click here to show and hide
9	0.25940	0.25940	0.87970
10	0.25940	0.99060	0.24530
11	0.49060	0.75940	0.24530
12	0.49060	0.49060	0.87970
13	0.25940	0.49060	0.99530
14	0.49060	0.25940	0.99530
15	0.49060	0.99060	0.12970
16	0.25940	0.75940	0.12970
(0,0,1/2)' + set click here to show and hide
17	0.75940	0.75940	0.87970
18	0.75940	0.49060	0.24530
19	0.99060	0.25940	0.24530
20	0.99060	0.99060	0.87970
21	0.75940	0.99060	0.99530
22	0.99060	0.75940	0.99530
23	0.99060	0.49060	0.12970
24	0.75940	0.25940	0.12970
(1/2,1/2,0)' + set click here to show and hide
25	0.25940	0.25940	0.37970
26	0.25940	0.99060	0.74530
27	0.49060	0.75940	0.74530
28	0.49060	0.49060	0.37970
29	0.25940	0.49060	0.49530
30	0.49060	0.25940	0.49530
31	0.49060	0.99060	0.62970
32	0.25940	0.75940	0.62970

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

Atom	x	y	z
1	0.50940	0.00940	0.87030
2	0.50940	0.24060	0.25470
3	0.24060	0.50940	0.25470
4	0.24060	0.74060	0.87030
5	0.00940	0.24060	0.00470
6	0.74060	0.50940	0.00470
7	0.74060	0.74060	0.12030
8	0.00940	0.00940	0.12030
(1/2,1/2,1/2) + set click here to show and hide
9	0.00940	0.50940	0.37030
10	0.00940	0.74060	0.75470
11	0.74060	0.00940	0.75470
12	0.74060	0.24060	0.37030
13	0.50940	0.74060	0.50470
14	0.24060	0.00940	0.50470
15	0.24060	0.24060	0.62030
16	0.50940	0.50940	0.62030
(0,0,1/2)' + set click here to show and hide
17	0.50940	0.00940	0.37030
18	0.50940	0.24060	0.75470
19	0.24060	0.50940	0.75470
20	0.24060	0.74060	0.37030
21	0.00940	0.24060	0.50470
22	0.74060	0.50940	0.50470
23	0.74060	0.74060	0.62030
24	0.00940	0.00940	0.62030
(1/2,1/2,0)' + set click here to show and hide
25	0.00940	0.50940	0.87030
26	0.00940	0.74060	0.25470
27	0.74060	0.00940	0.25470
28	0.74060	0.24060	0.87030
29	0.50940	0.74060	0.00470
30	0.24060	0.00940	0.00470
31	0.24060	0.24060	0.12030
32	0.50940	0.50940	0.12030

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	32	m_x,m_y,m_z	-4.	0.0	0.0	4.00

[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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	-4.00000	0.00000	0.00000
2	0.00000	0.25000	0.12500	m_x,-m_y,-m_z	-4.00000	0.00000	0.00000
3	0.75000	0.50000	0.12500	-m_x,m_y,-m_z	4.00000	0.00000	0.00000
4	0.75000	0.75000	0.00000	-m_x,-m_y,m_z	4.00000	0.00000	0.00000
5	0.00000	0.75000	0.87500	-m_y,m_x,m_z	0.00000	-4.00000	0.00000
6	0.75000	0.00000	0.87500	m_y,-m_x,m_z	0.00000	4.00000	0.00000
7	0.75000	0.25000	0.25000	m_y,m_x,-m_z	0.00000	-4.00000	0.00000
8	0.00000	0.50000	0.25000	-m_y,-m_x,-m_z	0.00000	4.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
9	0.50000	0.50000	0.50000	m_x,m_y,m_z	-4.00000	0.00000	0.00000
10	0.50000	0.75000	0.62500	m_x,-m_y,-m_z	-4.00000	0.00000	0.00000
11	0.25000	0.00000	0.62500	-m_x,m_y,-m_z	4.00000	0.00000	0.00000
12	0.25000	0.25000	0.50000	-m_x,-m_y,m_z	4.00000	0.00000	0.00000
13	0.50000	0.25000	0.37500	-m_y,m_x,m_z	0.00000	-4.00000	0.00000
14	0.25000	0.50000	0.37500	m_y,-m_x,m_z	0.00000	4.00000	0.00000
15	0.25000	0.75000	0.75000	m_y,m_x,-m_z	0.00000	-4.00000	0.00000
16	0.50000	0.00000	0.75000	-m_y,-m_x,-m_z	0.00000	4.00000	0.00000
(0,0,1/2)' + set click here to show and hide
17	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	4.00000	0.00000	0.00000
18	0.00000	0.25000	0.62500	-m_x,m_y,m_z	4.00000	0.00000	0.00000
19	0.75000	0.50000	0.62500	m_x,-m_y,m_z	-4.00000	0.00000	0.00000
20	0.75000	0.75000	0.50000	m_x,m_y,-m_z	-4.00000	0.00000	0.00000
21	0.00000	0.75000	0.37500	m_y,-m_x,-m_z	0.00000	4.00000	0.00000
22	0.75000	0.00000	0.37500	-m_y,m_x,-m_z	0.00000	-4.00000	0.00000
23	0.75000	0.25000	0.75000	-m_y,-m_x,m_z	0.00000	4.00000	0.00000
24	0.00000	0.50000	0.75000	m_y,m_x,m_z	0.00000	-4.00000	0.00000
(1/2,1/2,0)' + set click here to show and hide
25	0.50000	0.50000	0.00000	-m_x,-m_y,-m_z	4.00000	0.00000	0.00000
26	0.50000	0.75000	0.12500	-m_x,m_y,m_z	4.00000	0.00000	0.00000
27	0.25000	0.00000	0.12500	m_x,-m_y,m_z	-4.00000	0.00000	0.00000
28	0.25000	0.25000	0.00000	m_x,m_y,-m_z	-4.00000	0.00000	0.00000
29	0.50000	0.25000	0.87500	m_y,-m_x,-m_z	0.00000	4.00000	0.00000
30	0.25000	0.50000	0.87500	-m_y,m_x,-m_z	0.00000	-4.00000	0.00000
31	0.25000	0.75000	0.25000	-m_y,-m_x,m_z	0.00000	4.00000	0.00000
32	0.50000	0.00000	0.25000	m_y,m_x,m_z	0.00000	-4.00000	0.00000

[Hide]

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mW1	12	2	special	primary	3

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

ZnFe₂O₄ (#1.760)

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

ZnFe2O4 (#1.760)

ZnFe₂O₄ (#1.760)