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

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,x-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	-x,-y,-z,+1	-1
5	y,-x+y,-z,+1	-3⁺₀₀₁
6	x-y,x,-z,+1	-3^-₀₀₁
1' + set click here to show and hide
7	x,y,z,-1	1'
8	-y,x-y,z,-1	3'⁺₀₀₁
9	-x+y,-x,z,-1	3'^-₀₀₁
10	-x,-y,-z,-1	-1'
11	y,-x+y,-z,-1	-3'⁺₀₀₁
12	x-y,x,-z,-1	-3'^-₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.17900	0.95	12	0,0,m_z	0.0	0.0	1.	1.00
Fe2	Fe	0.00000	0.00000	0.07100	0.05	12	0,0,m_z	0.0	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ti1	Ti	0.00000	0.00000	0.17900	0.05	12
Ti2	Ti	0.00000	0.00000	0.07100	0.95	12
O1	O	0.30500	0.01500	0.12500	1	36

[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	0.17900	0,0,m_z	0.00000	0.00000	1.00000
2	0.00000	0.00000	0.82100	0,0,m_z	0.00000	0.00000	1.00000
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.51233	0,0,m_z	0.00000	0.00000	1.00000
4	0.33333	0.66667	0.15433	0,0,m_z	0.00000	0.00000	1.00000
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.84567	0,0,m_z	0.00000	0.00000	1.00000
6	0.66667	0.33333	0.48767	0,0,m_z	0.00000	0.00000	1.00000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.67900	0,0,-m_z	0.00000	0.00000	-1.00000
8	0.00000	0.00000	0.32100	0,0,-m_z	0.00000	0.00000	-1.00000
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.01233	0,0,-m_z	0.00000	0.00000	-1.00000
10	0.33333	0.66667	0.65433	0,0,-m_z	0.00000	0.00000	-1.00000
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.34567	0,0,-m_z	0.00000	0.00000	-1.00000
12	0.66667	0.33333	0.98767	0,0,-m_z	0.00000	0.00000	-1.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.07100	0,0,m_z	0.00000	0.00000	0.00000
2	0.00000	0.00000	0.92900	0,0,m_z	0.00000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.40433	0,0,m_z	0.00000	0.00000	0.00000
4	0.33333	0.66667	0.26233	0,0,m_z	0.00000	0.00000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.73767	0,0,m_z	0.00000	0.00000	0.00000
6	0.66667	0.33333	0.59567	0,0,m_z	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.57100	0,0,-m_z	0.00000	0.00000	0.00000
8	0.00000	0.00000	0.42900	0,0,-m_z	0.00000	0.00000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.90433	0,0,-m_z	0.00000	0.00000	0.00000
10	0.33333	0.66667	0.76233	0,0,-m_z	0.00000	0.00000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.23767	0,0,-m_z	0.00000	0.00000	0.00000
12	0.66667	0.33333	0.09567	0,0,-m_z	0.00000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ti1:

Atom	x	y	z
1	0.00000	0.00000	0.17900
2	0.00000	0.00000	0.82100
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.51233
4	0.33333	0.66667	0.15433
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.84567
6	0.66667	0.33333	0.48767
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.67900
8	0.00000	0.00000	0.32100
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.01233
10	0.33333	0.66667	0.65433
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.34567
12	0.66667	0.33333	0.98767

Set of atoms in the unit cell related by symmetry with the atom Ti2:

Atom	x	y	z
1	0.00000	0.00000	0.07100
2	0.00000	0.00000	0.92900
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.40433
4	0.33333	0.66667	0.26233
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.73767
6	0.66667	0.33333	0.59567
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.57100
8	0.00000	0.00000	0.42900
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.90433
10	0.33333	0.66667	0.76233
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.23767
12	0.66667	0.33333	0.09567

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

Atom	x	y	z
1	0.30500	0.01500	0.12500
2	0.98500	0.29000	0.12500
3	0.71000	0.69500	0.12500
4	0.69500	0.98500	0.87500
5	0.01500	0.71000	0.87500
6	0.29000	0.30500	0.87500
(1/3,2/3,1/3) + set click here to show and hide
7	0.63833	0.68167	0.45833
8	0.31833	0.95667	0.45833
9	0.04333	0.36167	0.45833
10	0.02833	0.65167	0.20833
11	0.34833	0.37667	0.20833
12	0.62333	0.97167	0.20833
(2/3,1/3,2/3) + set click here to show and hide
13	0.97167	0.34833	0.79167
14	0.65167	0.62333	0.79167
15	0.37667	0.02833	0.79167
16	0.36167	0.31833	0.54167
17	0.68167	0.04333	0.54167
18	0.95667	0.63833	0.54167
(0,0,1/2)' + set click here to show and hide
19	0.30500	0.01500	0.62500
20	0.98500	0.29000	0.62500
21	0.71000	0.69500	0.62500
22	0.69500	0.98500	0.37500
23	0.01500	0.71000	0.37500
24	0.29000	0.30500	0.37500
(1/3,2/3,5/6)' + set click here to show and hide
25	0.63833	0.68167	0.95833
26	0.31833	0.95667	0.95833
27	0.04333	0.36167	0.95833
28	0.02833	0.65167	0.70833
29	0.34833	0.37667	0.70833
30	0.62333	0.97167	0.70833
(2/3,1/3,1/6)' + set click here to show and hide
31	0.97167	0.34833	0.29167
32	0.65167	0.62333	0.29167
33	0.37667	0.02833	0.29167
34	0.36167	0.31833	0.04167
35	0.68167	0.04333	0.04167
36	0.95667	0.63833	0.04167

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.17900	0.95	12	0,0,m_z	0.0	0.0	1.	1.00
Fe2	Fe	0.00000	0.00000	0.07100	0.05	12	0,0,m_z	0.0	0.0	0.0	0.00

[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	0.17900	0,0,m_z	0.00000	0.00000	1.00000
2	0.00000	0.00000	0.82100	0,0,m_z	0.00000	0.00000	1.00000
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.51233	0,0,m_z	0.00000	0.00000	1.00000
4	0.33333	0.66667	0.15433	0,0,m_z	0.00000	0.00000	1.00000
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.84567	0,0,m_z	0.00000	0.00000	1.00000
6	0.66667	0.33333	0.48767	0,0,m_z	0.00000	0.00000	1.00000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.67900	0,0,-m_z	0.00000	0.00000	-1.00000
8	0.00000	0.00000	0.32100	0,0,-m_z	0.00000	0.00000	-1.00000
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.01233	0,0,-m_z	0.00000	0.00000	-1.00000
10	0.33333	0.66667	0.65433	0,0,-m_z	0.00000	0.00000	-1.00000
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.34567	0,0,-m_z	0.00000	0.00000	-1.00000
12	0.66667	0.33333	0.98767	0,0,-m_z	0.00000	0.00000	-1.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.07100	0,0,m_z	0.00000	0.00000	0.00000
2	0.00000	0.00000	0.92900	0,0,m_z	0.00000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
3	0.33333	0.66667	0.40433	0,0,m_z	0.00000	0.00000	0.00000
4	0.33333	0.66667	0.26233	0,0,m_z	0.00000	0.00000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
5	0.66667	0.33333	0.73767	0,0,m_z	0.00000	0.00000	0.00000
6	0.66667	0.33333	0.59567	0,0,m_z	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.57100	0,0,-m_z	0.00000	0.00000	0.00000
8	0.00000	0.00000	0.42900	0,0,-m_z	0.00000	0.00000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
9	0.33333	0.66667	0.90433	0,0,-m_z	0.00000	0.00000	0.00000
10	0.33333	0.66667	0.76233	0,0,-m_z	0.00000	0.00000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
11	0.66667	0.33333	0.23767	0,0,-m_z	0.00000	0.00000	0.00000
12	0.66667	0.33333	0.09567	0,0,-m_z	0.00000	0.00000	0.00000

[Hide]

label	dim. small irrep	dim. full irrep	action	number of modes
mT1+	1	1	primary	1

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

FeTiO₃ (#1.581)

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

FeTiO3 (#1.581)

FeTiO₃ (#1.581)