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+3/4,x+1/4,z+1/4,+1	{ 4⁺₀₀₁ \| 3/4 1/4 1/4 }
3	y+1/4,-x+1/4,z+1/4,+1	{ 4^-₀₀₁ \| 1/4 1/4 1/4 }
4	-x,-y+1/2,z,+1	{ 2₀₀₁ \| 0 1/2 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	y+1/4,-x+3/4,-z+3/4,+1	{ -4⁺₀₀₁ \| 1/4 3/4 3/4 }
7	-y+3/4,x+3/4,-z+3/4,+1	{ -4^-₀₀₁ \| 3/4 3/4 3/4 }
8	x,y+1/2,-z,+1	{ m₀₀₁ \| 0 1/2 0 }
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9	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
10	-y+1/4,x+3/4,z+3/4,+1	{ 4⁺₀₀₁ \| 1/4 3/4 3/4 }
11	y+3/4,-x+3/4,z+3/4,+1	{ 4^-₀₀₁ \| 3/4 3/4 3/4 }
12	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
13	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
14	y+3/4,-x+1/4,-z+1/4,+1	{ -4⁺₀₀₁ \| 3/4 1/4 1/4 }
15	-y+1/4,x+1/4,-z+1/4,+1	{ -4^-₀₀₁ \| 1/4 1/4 1/4 }
16	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
(0,0,1/2)' + set click here to show and hide
17	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
18	-y+3/4,x+1/4,z+3/4,-1	{ 4'⁺₀₀₁ \| 3/4 1/4 3/4 }
19	y+1/4,-x+1/4,z+3/4,-1	{ 4'^-₀₀₁ \| 1/4 1/4 3/4 }
20	-x,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 0 1/2 1/2 }
21	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
22	y+1/4,-x+3/4,-z+1/4,-1	{ -4'⁺₀₀₁ \| 1/4 3/4 1/4 }
23	-y+3/4,x+3/4,-z+1/4,-1	{ -4'^-₀₀₁ \| 3/4 3/4 1/4 }
24	x,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 0 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	-y+1/4,x+3/4,z+1/4,-1	{ 4'⁺₀₀₁ \| 1/4 3/4 1/4 }
27	y+3/4,-x+3/4,z+1/4,-1	{ 4'^-₀₀₁ \| 3/4 3/4 1/4 }
28	-x+1/2,-y,z,-1	{ 2'₀₀₁ \| 1/2 0 0 }
29	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
30	y+3/4,-x+1/4,-z+3/4,-1	{ -4'⁺₀₀₁ \| 3/4 1/4 3/4 }
31	-y+1/4,x+1/4,-z+3/4,-1	{ -4'^-₀₀₁ \| 1/4 1/4 3/4 }
32	x+1/2,y,-z,-1	{ m'₀₀₁ \| 1/2 0 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,z,+1	4⁺₀₀₁
3	y,-x,z,+1	4^-₀₀₁
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	y,-x,-z,+1	-4⁺₀₀₁
7	-y,x,-z,+1	-4^-₀₀₁
8	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-y,x,z,-1	4'⁺₀₀₁
11	y,-x,z,-1	4'^-₀₀₁
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	y,-x,-z,-1	-4'⁺₀₀₁
15	-y,x,-z,-1	-4'^-₀₀₁
16	x,y,-z,-1	m'₀₀₁

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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	16	m_x,m_y,m_z	-2.61	2.61	0.0	3.69

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ta1	Ta	0.00000	0.00000	0.16650	32
O1	O	0.15350	0.15350	0.00000	32
O2_1	O	0.14850	0.14850	0.16100	32
O2_2	O	0.85150	0.85150	0.16100	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	-2.61000	2.61000	0.00000
2	0.75000	0.25000	0.25000	-m_y,m_x,m_z	-2.61000	-2.61000	0.00000
3	0.25000	0.25000	0.25000	m_y,-m_x,m_z	2.61000	2.61000	0.00000
4	0.00000	0.50000	0.00000	-m_x,-m_y,m_z	2.61000	-2.61000	0.00000
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5	0.50000	0.50000	0.50000	m_x,m_y,m_z	-2.61000	2.61000	0.00000
6	0.25000	0.75000	0.75000	-m_y,m_x,m_z	-2.61000	-2.61000	0.00000
7	0.75000	0.75000	0.75000	m_y,-m_x,m_z	2.61000	2.61000	0.00000
8	0.50000	0.00000	0.50000	-m_x,-m_y,m_z	2.61000	-2.61000	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	2.61000	-2.61000	0.00000
10	0.75000	0.25000	0.75000	m_y,-m_x,-m_z	2.61000	2.61000	0.00000
11	0.25000	0.25000	0.75000	-m_y,m_x,-m_z	-2.61000	-2.61000	0.00000
12	0.00000	0.50000	0.50000	m_x,m_y,-m_z	-2.61000	2.61000	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	2.61000	-2.61000	0.00000
14	0.25000	0.75000	0.25000	m_y,-m_x,-m_z	2.61000	2.61000	0.00000
15	0.75000	0.75000	0.25000	-m_y,m_x,-m_z	-2.61000	-2.61000	0.00000
16	0.50000	0.00000	0.00000	m_x,m_y,-m_z	-2.61000	2.61000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ta1:

Atom	x	y	z
1	0.00000	0.00000	0.16650
2	0.75000	0.25000	0.41650
3	0.25000	0.25000	0.41650
4	0.00000	0.50000	0.16650
5	0.00000	0.00000	0.83350
6	0.25000	0.75000	0.58350
7	0.75000	0.75000	0.58350
8	0.00000	0.50000	0.83350
(1/2,1/2,1/2) + set click here to show and hide
9	0.50000	0.50000	0.66650
10	0.25000	0.75000	0.91650
11	0.75000	0.75000	0.91650
12	0.50000	0.00000	0.66650
13	0.50000	0.50000	0.33350
14	0.75000	0.25000	0.08350
15	0.25000	0.25000	0.08350
16	0.50000	0.00000	0.33350
(0,0,1/2)' + set click here to show and hide
17	0.00000	0.00000	0.66650
18	0.75000	0.25000	0.91650
19	0.25000	0.25000	0.91650
20	0.00000	0.50000	0.66650
21	0.00000	0.00000	0.33350
22	0.25000	0.75000	0.08350
23	0.75000	0.75000	0.08350
24	0.00000	0.50000	0.33350
(1/2,1/2,0)' + set click here to show and hide
25	0.50000	0.50000	0.16650
26	0.25000	0.75000	0.41650
27	0.75000	0.75000	0.41650
28	0.50000	0.00000	0.16650
29	0.50000	0.50000	0.83350
30	0.75000	0.25000	0.58350
31	0.25000	0.25000	0.58350
32	0.50000	0.00000	0.83350

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.15350	0.15350	0.00000
2	0.59650	0.40350	0.25000
3	0.40350	0.09650	0.25000
4	0.84650	0.34650	0.00000
5	0.84650	0.84650	0.00000
6	0.40350	0.59650	0.75000
7	0.59650	0.90350	0.75000
8	0.15350	0.65350	0.00000
(1/2,1/2,1/2) + set click here to show and hide
9	0.65350	0.65350	0.50000
10	0.09650	0.90350	0.75000
11	0.90350	0.59650	0.75000
12	0.34650	0.84650	0.50000
13	0.34650	0.34650	0.50000
14	0.90350	0.09650	0.25000
15	0.09650	0.40350	0.25000
16	0.65350	0.15350	0.50000
(0,0,1/2)' + set click here to show and hide
17	0.15350	0.15350	0.50000
18	0.59650	0.40350	0.75000
19	0.40350	0.09650	0.75000
20	0.84650	0.34650	0.50000
21	0.84650	0.84650	0.50000
22	0.40350	0.59650	0.25000
23	0.59650	0.90350	0.25000
24	0.15350	0.65350	0.50000
(1/2,1/2,0)' + set click here to show and hide
25	0.65350	0.65350	0.00000
26	0.09650	0.90350	0.25000
27	0.90350	0.59650	0.25000
28	0.34650	0.84650	0.00000
29	0.34650	0.34650	0.00000
30	0.90350	0.09650	0.75000
31	0.09650	0.40350	0.75000
32	0.65350	0.15350	0.00000

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

Atom	x	y	z
1	0.14850	0.14850	0.16100
2	0.60150	0.39850	0.41100
3	0.39850	0.10150	0.41100
4	0.85150	0.35150	0.16100
5	0.85150	0.85150	0.83900
6	0.39850	0.60150	0.58900
7	0.60150	0.89850	0.58900
8	0.14850	0.64850	0.83900
(1/2,1/2,1/2) + set click here to show and hide
9	0.64850	0.64850	0.66100
10	0.10150	0.89850	0.91100
11	0.89850	0.60150	0.91100
12	0.35150	0.85150	0.66100
13	0.35150	0.35150	0.33900
14	0.89850	0.10150	0.08900
15	0.10150	0.39850	0.08900
16	0.64850	0.14850	0.33900
(0,0,1/2)' + set click here to show and hide
17	0.14850	0.14850	0.66100
18	0.60150	0.39850	0.91100
19	0.39850	0.10150	0.91100
20	0.85150	0.35150	0.66100
21	0.85150	0.85150	0.33900
22	0.39850	0.60150	0.08900
23	0.60150	0.89850	0.08900
24	0.14850	0.64850	0.33900
(1/2,1/2,0)' + set click here to show and hide
25	0.64850	0.64850	0.16100
26	0.10150	0.89850	0.41100
27	0.89850	0.60150	0.41100
28	0.35150	0.85150	0.16100
29	0.35150	0.35150	0.83900
30	0.89850	0.10150	0.58900
31	0.10150	0.39850	0.58900
32	0.64850	0.14850	0.83900

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

Atom	x	y	z
1	0.85150	0.85150	0.16100
2	0.89850	0.10150	0.41100
3	0.10150	0.39850	0.41100
4	0.14850	0.64850	0.16100
5	0.14850	0.14850	0.83900
6	0.10150	0.89850	0.58900
7	0.89850	0.60150	0.58900
8	0.85150	0.35150	0.83900
(1/2,1/2,1/2) + set click here to show and hide
9	0.35150	0.35150	0.66100
10	0.39850	0.60150	0.91100
11	0.60150	0.89850	0.91100
12	0.64850	0.14850	0.66100
13	0.64850	0.64850	0.33900
14	0.60150	0.39850	0.08900
15	0.39850	0.10150	0.08900
16	0.35150	0.85150	0.33900
(0,0,1/2)' + set click here to show and hide
17	0.85150	0.85150	0.66100
18	0.89850	0.10150	0.91100
19	0.10150	0.39850	0.91100
20	0.14850	0.64850	0.66100
21	0.14850	0.14850	0.33900
22	0.10150	0.89850	0.08900
23	0.89850	0.60150	0.08900
24	0.85150	0.35150	0.33900
(1/2,1/2,0)' + set click here to show and hide
25	0.35150	0.35150	0.16100
26	0.39850	0.60150	0.41100
27	0.60150	0.89850	0.41100
28	0.64850	0.14850	0.16100
29	0.64850	0.64850	0.83900
30	0.60150	0.39850	0.58900
31	0.39850	0.10150	0.58900
32	0.35150	0.85150	0.83900

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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	16	m_x,m_y,m_z	-2.61	2.61	0.0	3.69

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mR1+	4	2	special	primary	3

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

FeTa₂O₆ (#2.22)

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

FeTa2O6 (#2.22)

FeTa₂O₆ (#2.22)