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

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	y,-x,-z,+1	-4⁺₀₀₁
4	-y,x,-z,+1	-4^-₀₀₁
5	-x,y,-z,+1	2₀₁₀
6	x,-y,-z,+1	2₁₀₀
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	2'₀₀₁
11	y,-x,-z,-1	-4'⁺₀₀₁
12	-y,x,-z,-1	-4'^-₀₀₁
13	-x,y,-z,-1	2'₀₁₀
14	x,-y,-z,-1	2'₁₀₀
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_1	Fe	-0.375	0.125	-0.1875	16	m_x,m_x,m_z	2.392(7)	2.392(7)	0.53(2)	3.42
Fe1_2	Fe	0.125	0.125	-0.4375	16	m_x,-m_x,0	1.860(8)	-1.860(8)	0.0	2.63

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Zn1_1	Zn	0.25	0.25	-0.125	8
Zn1_2	Zn	0	0	-0.25	4
Zn1_3	Zn	-0.5	0	-0.5	4
O1_1	O	-0.13524	0.13524	-0.18238	16
O1_2	O	-0.63524	0.13524	-0.43238	16
O1_3	O	0.38524	0.11476	-0.19262	16
O1_4	O	0.11476	0.11476	-0.05738	16

[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_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.62500	0.12500	0.81250	m_x,m_x,m_z	2.39200	2.39200	0.53000
2	0.37500	0.87500	0.81250	-m_x,-m_x,m_z	-2.39200	-2.39200	0.53000
3	0.12500	0.37500	0.18750	-m_x,m_x,m_z	-2.39200	2.39200	0.53000
4	0.87500	0.62500	0.18750	m_x,-m_x,m_z	2.39200	-2.39200	0.53000
(0,0,1/2)' + set click here to show and hide
5	0.62500	0.12500	0.31250	-m_x,-m_x,-m_z	-2.39200	-2.39200	-0.53000
6	0.37500	0.87500	0.31250	m_x,m_x,-m_z	2.39200	2.39200	-0.53000
7	0.12500	0.37500	0.68750	m_x,-m_x,-m_z	2.39200	-2.39200	-0.53000
8	0.87500	0.62500	0.68750	-m_x,m_x,-m_z	-2.39200	2.39200	-0.53000
(1/2,1/2,1/2) + set click here to show and hide
9	0.12500	0.62500	0.31250	m_x,m_x,m_z	2.39200	2.39200	0.53000
10	0.87500	0.37500	0.31250	-m_x,-m_x,m_z	-2.39200	-2.39200	0.53000
11	0.62500	0.87500	0.68750	-m_x,m_x,m_z	-2.39200	2.39200	0.53000
12	0.37500	0.12500	0.68750	m_x,-m_x,m_z	2.39200	-2.39200	0.53000
(1/2,1/2,0)' + set click here to show and hide
13	0.12500	0.62500	0.81250	-m_x,-m_x,-m_z	-2.39200	-2.39200	-0.53000
14	0.87500	0.37500	0.81250	m_x,m_x,-m_z	2.39200	2.39200	-0.53000
15	0.62500	0.87500	0.18750	m_x,-m_x,-m_z	2.39200	-2.39200	-0.53000
16	0.37500	0.12500	0.18750	-m_x,m_x,-m_z	-2.39200	2.39200	-0.53000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12500	0.12500	0.56250	m_x,-m_x,0	1.86000	-1.86000	0.00000
2	0.87500	0.87500	0.56250	-m_x,m_x,0	-1.86000	1.86000	0.00000
3	0.12500	0.87500	0.43750	m_x,m_x,0	1.86000	1.86000	0.00000
4	0.87500	0.12500	0.43750	-m_x,-m_x,0	-1.86000	-1.86000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.12500	0.12500	0.06250	-m_x,m_x,0	-1.86000	1.86000	0.00000
6	0.87500	0.87500	0.06250	m_x,-m_x,0	1.86000	-1.86000	0.00000
7	0.12500	0.87500	0.93750	-m_x,-m_x,0	-1.86000	-1.86000	0.00000
8	0.87500	0.12500	0.93750	m_x,m_x,0	1.86000	1.86000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
9	0.62500	0.62500	0.06250	m_x,-m_x,0	1.86000	-1.86000	0.00000
10	0.37500	0.37500	0.06250	-m_x,m_x,0	-1.86000	1.86000	0.00000
11	0.62500	0.37500	0.93750	m_x,m_x,0	1.86000	1.86000	0.00000
12	0.37500	0.62500	0.93750	-m_x,-m_x,0	-1.86000	-1.86000	0.00000
(1/2,1/2,0)' + set click here to show and hide
13	0.62500	0.62500	0.56250	-m_x,m_x,0	-1.86000	1.86000	0.00000
14	0.37500	0.37500	0.56250	m_x,-m_x,0	1.86000	-1.86000	0.00000
15	0.62500	0.37500	0.43750	-m_x,-m_x,0	-1.86000	-1.86000	0.00000
16	0.37500	0.62500	0.43750	m_x,m_x,0	1.86000	1.86000	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	0.25000	0.25000	0.87500
2	0.25000	0.75000	0.12500
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3	0.25000	0.25000	0.37500
4	0.25000	0.75000	0.62500
(1/2,1/2,1/2) + set click here to show and hide
5	0.75000	0.75000	0.37500
6	0.75000	0.25000	0.62500
(1/2,1/2,0)' + set click here to show and hide
7	0.75000	0.75000	0.87500
8	0.75000	0.25000	0.12500

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

Atom	x	y	z
1	0.00000	0.00000	0.75000
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2	0.00000	0.00000	0.25000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.25000
(1/2,1/2,0)' + set click here to show and hide
4	0.50000	0.50000	0.75000

Set of atoms in the unit cell related by symmetry with the atom Zn1_3:

Atom	x	y	z
1	0.50000	0.00000	0.50000
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2	0.50000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.00000
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4	0.00000	0.50000	0.50000

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

Atom	x	y	z
1	0.86476	0.13524	0.81762
2	0.13524	0.86476	0.81762
3	0.13524	0.13524	0.18238
4	0.86476	0.86476	0.18238
(0,0,1/2)' + set click here to show and hide
5	0.86476	0.13524	0.31762
6	0.13524	0.86476	0.31762
7	0.13524	0.13524	0.68238
8	0.86476	0.86476	0.68238
(1/2,1/2,1/2) + set click here to show and hide
9	0.36476	0.63524	0.31762
10	0.63524	0.36476	0.31762
11	0.63524	0.63524	0.68238
12	0.36476	0.36476	0.68238
(1/2,1/2,0)' + set click here to show and hide
13	0.36476	0.63524	0.81762
14	0.63524	0.36476	0.81762
15	0.63524	0.63524	0.18238
16	0.36476	0.36476	0.18238

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

Atom	x	y	z
1	0.36476	0.13524	0.56762
2	0.63524	0.86476	0.56762
3	0.13524	0.63524	0.43238
4	0.86476	0.36476	0.43238
(0,0,1/2)' + set click here to show and hide
5	0.36476	0.13524	0.06762
6	0.63524	0.86476	0.06762
7	0.13524	0.63524	0.93238
8	0.86476	0.36476	0.93238
(1/2,1/2,1/2) + set click here to show and hide
9	0.86476	0.63524	0.06762
10	0.13524	0.36476	0.06762
11	0.63524	0.13524	0.93238
12	0.36476	0.86476	0.93238
(1/2,1/2,0)' + set click here to show and hide
13	0.86476	0.63524	0.56762
14	0.13524	0.36476	0.56762
15	0.63524	0.13524	0.43238
16	0.36476	0.86476	0.43238

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

Atom	x	y	z
1	0.38524	0.11476	0.80738
2	0.61476	0.88524	0.80738
3	0.11476	0.61476	0.19262
4	0.88524	0.38524	0.19262
(0,0,1/2)' + set click here to show and hide
5	0.38524	0.11476	0.30738
6	0.61476	0.88524	0.30738
7	0.11476	0.61476	0.69262
8	0.88524	0.38524	0.69262
(1/2,1/2,1/2) + set click here to show and hide
9	0.88524	0.61476	0.30738
10	0.11476	0.38524	0.30738
11	0.61476	0.11476	0.69262
12	0.38524	0.88524	0.69262
(1/2,1/2,0)' + set click here to show and hide
13	0.88524	0.61476	0.80738
14	0.11476	0.38524	0.80738
15	0.61476	0.11476	0.19262
16	0.38524	0.88524	0.19262

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

Atom	x	y	z
1	0.11476	0.11476	0.94262
2	0.88524	0.88524	0.94262
3	0.11476	0.88524	0.05738
4	0.88524	0.11476	0.05738
(0,0,1/2)' + set click here to show and hide
5	0.11476	0.11476	0.44262
6	0.88524	0.88524	0.44262
7	0.11476	0.88524	0.55738
8	0.88524	0.11476	0.55738
(1/2,1/2,1/2) + set click here to show and hide
9	0.61476	0.61476	0.44262
10	0.38524	0.38524	0.44262
11	0.61476	0.38524	0.55738
12	0.38524	0.61476	0.55738
(1/2,1/2,0)' + set click here to show and hide
13	0.61476	0.61476	0.94262
14	0.38524	0.38524	0.94262
15	0.61476	0.38524	0.05738
16	0.38524	0.61476	0.05738

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	-0.375	0.125	-0.1875	16	m_x,m_x,m_z	2.392(7)	2.392(7)	0.53(2)	3.42
Fe1_2	Fe	0.125	0.125	-0.4375	16	m_x,-m_x,0	1.860(8)	-1.860(8)	0.0	2.63

[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_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.62500	0.12500	0.81250	m_x,m_x,m_z	2.39200	2.39200	0.53000
2	0.37500	0.87500	0.81250	-m_x,-m_x,m_z	-2.39200	-2.39200	0.53000
3	0.12500	0.37500	0.18750	-m_x,m_x,m_z	-2.39200	2.39200	0.53000
4	0.87500	0.62500	0.18750	m_x,-m_x,m_z	2.39200	-2.39200	0.53000
(0,0,1/2)' + set click here to show and hide
5	0.62500	0.12500	0.31250	-m_x,-m_x,-m_z	-2.39200	-2.39200	-0.53000
6	0.37500	0.87500	0.31250	m_x,m_x,-m_z	2.39200	2.39200	-0.53000
7	0.12500	0.37500	0.68750	m_x,-m_x,-m_z	2.39200	-2.39200	-0.53000
8	0.87500	0.62500	0.68750	-m_x,m_x,-m_z	-2.39200	2.39200	-0.53000
(1/2,1/2,1/2) + set click here to show and hide
9	0.12500	0.62500	0.31250	m_x,m_x,m_z	2.39200	2.39200	0.53000
10	0.87500	0.37500	0.31250	-m_x,-m_x,m_z	-2.39200	-2.39200	0.53000
11	0.62500	0.87500	0.68750	-m_x,m_x,m_z	-2.39200	2.39200	0.53000
12	0.37500	0.12500	0.68750	m_x,-m_x,m_z	2.39200	-2.39200	0.53000
(1/2,1/2,0)' + set click here to show and hide
13	0.12500	0.62500	0.81250	-m_x,-m_x,-m_z	-2.39200	-2.39200	-0.53000
14	0.87500	0.37500	0.81250	m_x,m_x,-m_z	2.39200	2.39200	-0.53000
15	0.62500	0.87500	0.18750	m_x,-m_x,-m_z	2.39200	-2.39200	-0.53000
16	0.37500	0.12500	0.18750	-m_x,m_x,-m_z	-2.39200	2.39200	-0.53000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12500	0.12500	0.56250	m_x,-m_x,0	1.86000	-1.86000	0.00000
2	0.87500	0.87500	0.56250	-m_x,m_x,0	-1.86000	1.86000	0.00000
3	0.12500	0.87500	0.43750	m_x,m_x,0	1.86000	1.86000	0.00000
4	0.87500	0.12500	0.43750	-m_x,-m_x,0	-1.86000	-1.86000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.12500	0.12500	0.06250	-m_x,m_x,0	-1.86000	1.86000	0.00000
6	0.87500	0.87500	0.06250	m_x,-m_x,0	1.86000	-1.86000	0.00000
7	0.12500	0.87500	0.93750	-m_x,-m_x,0	-1.86000	-1.86000	0.00000
8	0.87500	0.12500	0.93750	m_x,m_x,0	1.86000	1.86000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
9	0.62500	0.62500	0.06250	m_x,-m_x,0	1.86000	-1.86000	0.00000
10	0.37500	0.37500	0.06250	-m_x,m_x,0	-1.86000	1.86000	0.00000
11	0.62500	0.37500	0.93750	m_x,m_x,0	1.86000	1.86000	0.00000
12	0.37500	0.62500	0.93750	-m_x,-m_x,0	-1.86000	-1.86000	0.00000
(1/2,1/2,0)' + set click here to show and hide
13	0.62500	0.62500	0.56250	-m_x,m_x,0	-1.86000	1.86000	0.00000
14	0.37500	0.37500	0.56250	m_x,-m_x,0	1.86000	-1.86000	0.00000
15	0.62500	0.37500	0.43750	-m_x,-m_x,0	-1.86000	-1.86000	0.00000
16	0.37500	0.62500	0.43750	m_x,m_x,0	1.86000	1.86000	0.00000

[Hide]

label	dim. full irrep	dim. small irrep	direction	action
mW2	12	4	special	primary

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

ZnFe₂O₄ (#1.828)

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

ZnFe2O4 (#1.828)

ZnFe₂O₄ (#1.828)