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+1/4,y,-z+1/8,+1	{ 2₀₁₀ \| 1/4 0 1/8 }
4	-x+1/4,-y+1/4,z,+1	{ 2₀₀₁ \| 1/4 1/4 0 }
(1/2,1/2,1/2) + set click here to show and hide
5	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
6	x+1/2,-y+3/4,-z+5/8,+1	{ 2₁₀₀ \| 1/2 3/4 5/8 }
7	-x+3/4,y+1/2,-z+5/8,+1	{ 2₀₁₀ \| 3/4 1/2 5/8 }
8	-x+3/4,-y+3/4,z+1/2,+1	{ 2₀₀₁ \| 3/4 3/4 1/2 }
(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+1/4,-z+5/8,-1	{ 2'₁₀₀ \| 0 1/4 5/8 }
11	-x+1/4,y,-z+5/8,-1	{ 2'₀₁₀ \| 1/4 0 5/8 }
12	-x+1/4,-y+1/4,z+1/2,-1	{ 2'₀₀₁ \| 1/4 1/4 1/2 }
(1/2,1/2,0)' + set click here to show and hide
13	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
14	x+1/2,-y+3/4,-z+1/8,-1	{ 2'₁₀₀ \| 1/2 3/4 1/8 }
15	-x+3/4,y+1/2,-z+1/8,-1	{ 2'₀₁₀ \| 3/4 1/2 1/8 }
16	-x+3/4,-y+3/4,z,-1	{ 2'₀₀₁ \| 3/4 3/4 0 }

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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
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x,-y,-z,-1	2'₁₀₀
7	-x,y,-z,-1	2'₀₁₀
8	-x,-y,z,-1	2'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.00000	0.00000	0.00000	16	m_x,m_y,m_z	4.	0.0	0.0	4.00
Fe1_2	Fe	0.75000	0.25000	0.25000	16	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	4
Zn1_3	Zn	0.12500	0.12500	0.31250	4
O1_1	O	0.75940	0.75940	0.37970	16
O1_2	O	0.99060	0.49060	0.62970	16
O1_3	O	0.50940	0.00940	0.87030	16
O1_4	O	0.24060	0.24060	0.62030	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	0.00000	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	0.25000	0.00000	0.12500	-m_x,m_y,-m_z	-4.00000	0.00000	0.00000
4	0.25000	0.25000	0.00000	-m_x,-m_y,m_z	-4.00000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.50000	0.50000	m_x,m_y,m_z	4.00000	0.00000	0.00000
6	0.50000	0.75000	0.62500	m_x,-m_y,-m_z	4.00000	0.00000	0.00000
7	0.75000	0.50000	0.62500	-m_x,m_y,-m_z	-4.00000	0.00000	0.00000
8	0.75000	0.75000	0.50000	-m_x,-m_y,m_z	-4.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	-4.00000	0.00000	0.00000
10	0.00000	0.25000	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
(1/2,1/2,0)' + set click here to show and hide
13	0.50000	0.50000	0.00000	-m_x,-m_y,-m_z	-4.00000	0.00000	0.00000
14	0.50000	0.75000	0.12500	-m_x,m_y,m_z	-4.00000	0.00000	0.00000
15	0.75000	0.50000	0.12500	m_x,-m_y,m_z	4.00000	0.00000	0.00000
16	0.75000	0.75000	0.00000	m_x,m_y,-m_z	4.00000	0.00000	0.00000

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	0.75000	0.25000	0.25000	m_x,m_y,m_z	4.00000	0.00000	0.00000
2	0.75000	0.00000	0.87500	m_x,-m_y,-m_z	4.00000	0.00000	0.00000
3	0.50000	0.25000	0.87500	-m_x,m_y,-m_z	-4.00000	0.00000	0.00000
4	0.50000	0.00000	0.25000	-m_x,-m_y,m_z	-4.00000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
5	0.25000	0.75000	0.75000	m_x,m_y,m_z	4.00000	0.00000	0.00000
6	0.25000	0.50000	0.37500	m_x,-m_y,-m_z	4.00000	0.00000	0.00000
7	0.00000	0.75000	0.37500	-m_x,m_y,-m_z	-4.00000	0.00000	0.00000
8	0.00000	0.50000	0.75000	-m_x,-m_y,m_z	-4.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.75000	0.25000	0.75000	-m_x,-m_y,-m_z	-4.00000	0.00000	0.00000
10	0.75000	0.00000	0.37500	-m_x,m_y,m_z	-4.00000	0.00000	0.00000
11	0.50000	0.25000	0.37500	m_x,-m_y,m_z	4.00000	0.00000	0.00000
12	0.50000	0.00000	0.75000	m_x,m_y,-m_z	4.00000	0.00000	0.00000
(1/2,1/2,0)' + set click here to show and hide
13	0.25000	0.75000	0.25000	-m_x,-m_y,-m_z	-4.00000	0.00000	0.00000
14	0.25000	0.50000	0.87500	-m_x,m_y,m_z	-4.00000	0.00000	0.00000
15	0.00000	0.75000	0.87500	m_x,-m_y,m_z	4.00000	0.00000	0.00000
16	0.00000	0.50000	0.25000	m_x,m_y,-m_z	4.00000	0.00000	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
(1/2,1/2,1/2) + set click here to show and hide
2	0.62500	0.12500	0.56250
(0,0,1/2)' + set click here to show and hide
3	0.12500	0.62500	0.56250
(1/2,1/2,0)' + set click here to show and hide
4	0.62500	0.12500	0.06250

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

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

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	0.49060	0.75940	0.74530
4	0.49060	0.49060	0.37970
(1/2,1/2,1/2) + set click here to show and hide
5	0.25940	0.25940	0.87970
6	0.25940	0.99060	0.24530
7	0.99060	0.25940	0.24530
8	0.99060	0.99060	0.87970
(0,0,1/2)' + set click here to show and hide
9	0.75940	0.75940	0.87970
10	0.75940	0.49060	0.24530
11	0.49060	0.75940	0.24530
12	0.49060	0.49060	0.87970
(1/2,1/2,0)' + set click here to show and hide
13	0.25940	0.25940	0.37970
14	0.25940	0.99060	0.74530
15	0.99060	0.25940	0.74530
16	0.99060	0.99060	0.37970

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

Atom	x	y	z
1	0.99060	0.49060	0.62970
2	0.99060	0.75940	0.49530
3	0.25940	0.49060	0.49530
4	0.25940	0.75940	0.62970
(1/2,1/2,1/2) + set click here to show and hide
5	0.49060	0.99060	0.12970
6	0.49060	0.25940	0.99530
7	0.75940	0.99060	0.99530
8	0.75940	0.25940	0.12970
(0,0,1/2)' + set click here to show and hide
9	0.99060	0.49060	0.12970
10	0.99060	0.75940	0.99530
11	0.25940	0.49060	0.99530
12	0.25940	0.75940	0.12970
(1/2,1/2,0)' + set click here to show and hide
13	0.49060	0.99060	0.62970
14	0.49060	0.25940	0.49530
15	0.75940	0.99060	0.49530
16	0.75940	0.25940	0.62970

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

Atom	x	y	z
1	0.50940	0.00940	0.87030
2	0.50940	0.24060	0.25470
3	0.74060	0.00940	0.25470
4	0.74060	0.24060	0.87030
(1/2,1/2,1/2) + set click here to show and hide
5	0.00940	0.50940	0.37030
6	0.00940	0.74060	0.75470
7	0.24060	0.50940	0.75470
8	0.24060	0.74060	0.37030
(0,0,1/2)' + set click here to show and hide
9	0.50940	0.00940	0.37030
10	0.50940	0.24060	0.75470
11	0.74060	0.00940	0.75470
12	0.74060	0.24060	0.37030
(1/2,1/2,0)' + set click here to show and hide
13	0.00940	0.50940	0.87030
14	0.00940	0.74060	0.25470
15	0.24060	0.50940	0.25470
16	0.24060	0.74060	0.87030

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

Atom	x	y	z
1	0.24060	0.24060	0.62030
2	0.24060	0.00940	0.50470
3	0.00940	0.24060	0.50470
4	0.00940	0.00940	0.62030
(1/2,1/2,1/2) + set click here to show and hide
5	0.74060	0.74060	0.12030
6	0.74060	0.50940	0.00470
7	0.50940	0.74060	0.00470
8	0.50940	0.50940	0.12030
(0,0,1/2)' + set click here to show and hide
9	0.24060	0.24060	0.12030
10	0.24060	0.00940	0.00470
11	0.00940	0.24060	0.00470
12	0.00940	0.00940	0.12030
(1/2,1/2,0)' + set click here to show and hide
13	0.74060	0.74060	0.62030
14	0.74060	0.50940	0.50470
15	0.50940	0.74060	0.50470
16	0.50940	0.50940	0.62030

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.00000	0.00000	0.00000	16	m_x,m_y,m_z	4.	0.0	0.0	4.00
Fe1_2	Fe	0.75000	0.25000	0.25000	16	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_1:

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	0.25000	0.00000	0.12500	-m_x,m_y,-m_z	-4.00000	0.00000	0.00000
4	0.25000	0.25000	0.00000	-m_x,-m_y,m_z	-4.00000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.50000	0.50000	m_x,m_y,m_z	4.00000	0.00000	0.00000
6	0.50000	0.75000	0.62500	m_x,-m_y,-m_z	4.00000	0.00000	0.00000
7	0.75000	0.50000	0.62500	-m_x,m_y,-m_z	-4.00000	0.00000	0.00000
8	0.75000	0.75000	0.50000	-m_x,-m_y,m_z	-4.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	-4.00000	0.00000	0.00000
10	0.00000	0.25000	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
(1/2,1/2,0)' + set click here to show and hide
13	0.50000	0.50000	0.00000	-m_x,-m_y,-m_z	-4.00000	0.00000	0.00000
14	0.50000	0.75000	0.12500	-m_x,m_y,m_z	-4.00000	0.00000	0.00000
15	0.75000	0.50000	0.12500	m_x,-m_y,m_z	4.00000	0.00000	0.00000
16	0.75000	0.75000	0.00000	m_x,m_y,-m_z	4.00000	0.00000	0.00000

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	0.75000	0.25000	0.25000	m_x,m_y,m_z	4.00000	0.00000	0.00000
2	0.75000	0.00000	0.87500	m_x,-m_y,-m_z	4.00000	0.00000	0.00000
3	0.50000	0.25000	0.87500	-m_x,m_y,-m_z	-4.00000	0.00000	0.00000
4	0.50000	0.00000	0.25000	-m_x,-m_y,m_z	-4.00000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
5	0.25000	0.75000	0.75000	m_x,m_y,m_z	4.00000	0.00000	0.00000
6	0.25000	0.50000	0.37500	m_x,-m_y,-m_z	4.00000	0.00000	0.00000
7	0.00000	0.75000	0.37500	-m_x,m_y,-m_z	-4.00000	0.00000	0.00000
8	0.00000	0.50000	0.75000	-m_x,-m_y,m_z	-4.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.75000	0.25000	0.75000	-m_x,-m_y,-m_z	-4.00000	0.00000	0.00000
10	0.75000	0.00000	0.37500	-m_x,m_y,m_z	-4.00000	0.00000	0.00000
11	0.50000	0.25000	0.37500	m_x,-m_y,m_z	4.00000	0.00000	0.00000
12	0.50000	0.00000	0.75000	m_x,m_y,-m_z	4.00000	0.00000	0.00000
(1/2,1/2,0)' + set click here to show and hide
13	0.25000	0.75000	0.25000	-m_x,-m_y,-m_z	-4.00000	0.00000	0.00000
14	0.25000	0.50000	0.87500	-m_x,m_y,m_z	-4.00000	0.00000	0.00000
15	0.00000	0.75000	0.87500	m_x,-m_y,m_z	4.00000	0.00000	0.00000
16	0.00000	0.50000	0.25000	m_x,m_y,-m_z	4.00000	0.00000	0.00000

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label	dim. full irrep	dim. small irrep	direction	action	number of modes
mW1	12	2	special	primary	3
mW2	12	2	special	primary	3

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

ZnFe₂O₄ (#1.761)

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

ZnFe2O4 (#1.761)

ZnFe₂O₄ (#1.761)