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+1/4,x+1/4,z+1/4,+1	{ 4⁺₀₀₁ \| 1/4 1/4 1/4 }
3	y+1/4,-x+3/4,z+1/4,+1	{ 4^-₀₀₁ \| 1/4 3/4 1/4 }
4	-x+1/2,-y,z,+1	{ 2₀₀₁ \| 1/2 0 0 }
5	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
6	y+1/4,-x+1/4,-z+1/4,+1	{ -4⁺₀₀₁ \| 1/4 1/4 1/4 }
7	-y+1/4,x+3/4,-z+1/4,+1	{ -4^-₀₀₁ \| 1/4 3/4 1/4 }
8	x,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 0 1/2 1/2 }
(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	-y+3/4,x+3/4,z+3/4,+1	{ 4⁺₀₀₁ \| 3/4 3/4 3/4 }
11	y+3/4,-x+1/4,z+3/4,+1	{ 4^-₀₀₁ \| 3/4 1/4 3/4 }
12	-x,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
13	-x,-y,-z,+1	{ -1 \| 0 }
14	y+3/4,-x+3/4,-z+3/4,+1	{ -4⁺₀₀₁ \| 3/4 3/4 3/4 }
15	-y+3/4,x+1/4,-z+3/4,+1	{ -4^-₀₀₁ \| 3/4 1/4 3/4 }
16	x+1/2,y,-z,+1	{ m₀₀₁ \| 1/2 0 0 }
(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+1/4,x+1/4,z+3/4,-1	{ 4'⁺₀₀₁ \| 1/4 1/4 3/4 }
19	y+1/4,-x+3/4,z+3/4,-1	{ 4'^-₀₀₁ \| 1/4 3/4 3/4 }
20	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
21	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
22	y+1/4,-x+1/4,-z+3/4,-1	{ -4'⁺₀₀₁ \| 1/4 1/4 3/4 }
23	-y+1/4,x+3/4,-z+3/4,-1	{ -4'^-₀₀₁ \| 1/4 3/4 3/4 }
24	x,y+1/2,-z,-1	{ m'₀₀₁ \| 0 1/2 0 }
(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+3/4,x+3/4,z+1/4,-1	{ 4'⁺₀₀₁ \| 3/4 3/4 1/4 }
27	y+3/4,-x+1/4,z+1/4,-1	{ 4'^-₀₀₁ \| 3/4 1/4 1/4 }
28	-x,-y+1/2,z,-1	{ 2'₀₀₁ \| 0 1/2 0 }
29	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
30	y+3/4,-x+3/4,-z+1/4,-1	{ -4'⁺₀₀₁ \| 3/4 3/4 1/4 }
31	-y+3/4,x+1/4,-z+1/4,-1	{ -4'^-₀₀₁ \| 3/4 1/4 1/4 }
32	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }

[Hide]

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

[Hide]

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	2.83	2.83	0.0	4.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ta1	Ta	0.00000	0.00000	0.16650	32
O1	O	0.15445	0.15445	0.00000	32
O2_1	O	0.14745	0.14745	0.16160	32
O2_2	O	0.85255	0.85255	0.16160	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	2.83000	2.83000	0.00000
2	0.25000	0.25000	0.25000	-m_y,m_x,m_z	-2.83000	2.83000	0.00000
3	0.25000	0.75000	0.25000	m_y,-m_x,m_z	2.83000	-2.83000	0.00000
4	0.50000	0.00000	0.00000	-m_x,-m_y,m_z	-2.83000	-2.83000	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	2.83000	2.83000	0.00000
6	0.75000	0.75000	0.75000	-m_y,m_x,m_z	-2.83000	2.83000	0.00000
7	0.75000	0.25000	0.75000	m_y,-m_x,m_z	2.83000	-2.83000	0.00000
8	0.00000	0.50000	0.50000	-m_x,-m_y,m_z	-2.83000	-2.83000	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	-2.83000	-2.83000	0.00000
10	0.25000	0.25000	0.75000	m_y,-m_x,-m_z	2.83000	-2.83000	0.00000
11	0.25000	0.75000	0.75000	-m_y,m_x,-m_z	-2.83000	2.83000	0.00000
12	0.50000	0.00000	0.50000	m_x,m_y,-m_z	2.83000	2.83000	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	-2.83000	-2.83000	0.00000
14	0.75000	0.75000	0.25000	m_y,-m_x,-m_z	2.83000	-2.83000	0.00000
15	0.75000	0.25000	0.25000	-m_y,m_x,-m_z	-2.83000	2.83000	0.00000
16	0.00000	0.50000	0.00000	m_x,m_y,-m_z	2.83000	2.83000	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	0.25000	0.25000	0.41650
3	0.25000	0.75000	0.41650
4	0.50000	0.00000	0.16650
5	0.50000	0.50000	0.33350
6	0.25000	0.25000	0.08350
7	0.25000	0.75000	0.08350
8	0.00000	0.50000	0.33350
(1/2,1/2,1/2) + set click here to show and hide
9	0.50000	0.50000	0.66650
10	0.75000	0.75000	0.91650
11	0.75000	0.25000	0.91650
12	0.00000	0.50000	0.66650
13	0.00000	0.00000	0.83350
14	0.75000	0.75000	0.58350
15	0.75000	0.25000	0.58350
16	0.50000	0.00000	0.83350
(0,0,1/2)' + set click here to show and hide
17	0.00000	0.00000	0.66650
18	0.25000	0.25000	0.91650
19	0.25000	0.75000	0.91650
20	0.50000	0.00000	0.66650
21	0.50000	0.50000	0.83350
22	0.25000	0.25000	0.58350
23	0.25000	0.75000	0.58350
24	0.00000	0.50000	0.83350
(1/2,1/2,0)' + set click here to show and hide
25	0.50000	0.50000	0.16650
26	0.75000	0.75000	0.41650
27	0.75000	0.25000	0.41650
28	0.00000	0.50000	0.16650
29	0.00000	0.00000	0.33350
30	0.75000	0.75000	0.08350
31	0.75000	0.25000	0.08350
32	0.50000	0.00000	0.33350

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

Atom	x	y	z
1	0.15445	0.15445	0.00000
2	0.09555	0.40445	0.25000
3	0.40445	0.59555	0.25000
4	0.34555	0.84555	0.00000
5	0.34555	0.34555	0.50000
6	0.40445	0.09555	0.25000
7	0.09555	0.90445	0.25000
8	0.15445	0.65445	0.50000
(1/2,1/2,1/2) + set click here to show and hide
9	0.65445	0.65445	0.50000
10	0.59555	0.90445	0.75000
11	0.90445	0.09555	0.75000
12	0.84555	0.34555	0.50000
13	0.84555	0.84555	0.00000
14	0.90445	0.59555	0.75000
15	0.59555	0.40445	0.75000
16	0.65445	0.15445	0.00000
(0,0,1/2)' + set click here to show and hide
17	0.15445	0.15445	0.50000
18	0.09555	0.40445	0.75000
19	0.40445	0.59555	0.75000
20	0.34555	0.84555	0.50000
21	0.34555	0.34555	0.00000
22	0.40445	0.09555	0.75000
23	0.09555	0.90445	0.75000
24	0.15445	0.65445	0.00000
(1/2,1/2,0)' + set click here to show and hide
25	0.65445	0.65445	0.00000
26	0.59555	0.90445	0.25000
27	0.90445	0.09555	0.25000
28	0.84555	0.34555	0.00000
29	0.84555	0.84555	0.50000
30	0.90445	0.59555	0.25000
31	0.59555	0.40445	0.25000
32	0.65445	0.15445	0.50000

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

Atom	x	y	z
1	0.14745	0.14745	0.16160
2	0.10255	0.39745	0.41160
3	0.39745	0.60255	0.41160
4	0.35255	0.85255	0.16160
5	0.35255	0.35255	0.33840
6	0.39745	0.10255	0.08840
7	0.10255	0.89745	0.08840
8	0.14745	0.64745	0.33840
(1/2,1/2,1/2) + set click here to show and hide
9	0.64745	0.64745	0.66160
10	0.60255	0.89745	0.91160
11	0.89745	0.10255	0.91160
12	0.85255	0.35255	0.66160
13	0.85255	0.85255	0.83840
14	0.89745	0.60255	0.58840
15	0.60255	0.39745	0.58840
16	0.64745	0.14745	0.83840
(0,0,1/2)' + set click here to show and hide
17	0.14745	0.14745	0.66160
18	0.10255	0.39745	0.91160
19	0.39745	0.60255	0.91160
20	0.35255	0.85255	0.66160
21	0.35255	0.35255	0.83840
22	0.39745	0.10255	0.58840
23	0.10255	0.89745	0.58840
24	0.14745	0.64745	0.83840
(1/2,1/2,0)' + set click here to show and hide
25	0.64745	0.64745	0.16160
26	0.60255	0.89745	0.41160
27	0.89745	0.10255	0.41160
28	0.85255	0.35255	0.16160
29	0.85255	0.85255	0.33840
30	0.89745	0.60255	0.08840
31	0.60255	0.39745	0.08840
32	0.64745	0.14745	0.33840

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

Atom	x	y	z
1	0.85255	0.85255	0.16160
2	0.39745	0.10255	0.41160
3	0.10255	0.89745	0.41160
4	0.64745	0.14745	0.16160
5	0.64745	0.64745	0.33840
6	0.10255	0.39745	0.08840
7	0.39745	0.60255	0.08840
8	0.85255	0.35255	0.33840
(1/2,1/2,1/2) + set click here to show and hide
9	0.35255	0.35255	0.66160
10	0.89745	0.60255	0.91160
11	0.60255	0.39745	0.91160
12	0.14745	0.64745	0.66160
13	0.14745	0.14745	0.83840
14	0.60255	0.89745	0.58840
15	0.89745	0.10255	0.58840
16	0.35255	0.85255	0.83840
(0,0,1/2)' + set click here to show and hide
17	0.85255	0.85255	0.66160
18	0.39745	0.10255	0.91160
19	0.10255	0.89745	0.91160
20	0.64745	0.14745	0.66160
21	0.64745	0.64745	0.83840
22	0.10255	0.39745	0.58840
23	0.39745	0.60255	0.58840
24	0.85255	0.35255	0.83840
(1/2,1/2,0)' + set click here to show and hide
25	0.35255	0.35255	0.16160
26	0.89745	0.60255	0.41160
27	0.60255	0.39745	0.41160
28	0.14745	0.64745	0.16160
29	0.14745	0.14745	0.33840
30	0.60255	0.89745	0.08840
31	0.89745	0.10255	0.08840
32	0.35255	0.85255	0.33840

[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	16	m_x,m_y,m_z	2.83	2.83	0.0	4.00

[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	priamry	3

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

FeTa₂O₆ (#2.86)

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

FeTa2O6 (#2.86)

FeTa₂O₆ (#2.86)