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

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,-y,-z,+1	-1
4	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,z,-1	2'₀₀₁
7	-x,-y,-z,-1	-1'
8	x,y,-z,-1	m'₀₀₁

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	0.25400	16	m_x,m_y,0	-0.78	1.57	0.0	1.85

Non-magnetic atoms:

Label	Atom type	x	y	Multiplicity
Tl1	Tl	0.48300	0.16250	16
S1	S	0.37050	0.02000	16
S2	S	0.29200	0.33800	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:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25400	m_x,m_y,0	-0.78000	1.57000	0.00000
2	0.00000	0.50000	0.74600	m_x,m_y,0	-0.78000	1.57000	0.00000
(1/4,3/4,1/2) + set click here to show and hide
3	0.25000	0.75000	0.75400	m_x,m_y,0	-0.78000	1.57000	0.00000
4	0.25000	0.25000	0.24600	m_x,m_y,0	-0.78000	1.57000	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.50000	0.25400	m_x,m_y,0	-0.78000	1.57000	0.00000
6	0.50000	0.00000	0.74600	m_x,m_y,0	-0.78000	1.57000	0.00000
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.25000	0.75400	m_x,m_y,0	-0.78000	1.57000	0.00000
8	0.75000	0.75000	0.24600	m_x,m_y,0	-0.78000	1.57000	0.00000
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.50000	0.25400	-m_x,-m_y,0	0.78000	-1.57000	0.00000
10	0.00000	0.00000	0.74600	-m_x,-m_y,0	0.78000	-1.57000	0.00000
(1/4,1/4,1/2)' + set click here to show and hide
11	0.25000	0.25000	0.75400	-m_x,-m_y,0	0.78000	-1.57000	0.00000
12	0.25000	0.75000	0.24600	-m_x,-m_y,0	0.78000	-1.57000	0.00000
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.00000	0.25400	-m_x,-m_y,0	0.78000	-1.57000	0.00000
14	0.50000	0.50000	0.74600	-m_x,-m_y,0	0.78000	-1.57000	0.00000
(3/4,3/4,1/2)' + set click here to show and hide
15	0.75000	0.75000	0.75400	-m_x,-m_y,0	0.78000	-1.57000	0.00000
16	0.75000	0.25000	0.24600	-m_x,-m_y,0	0.78000	-1.57000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Tl1:

Atom	x	y	z
1	0.48300	0.16250	0.00000
2	0.51700	0.33750	0.00000
(1/4,3/4,1/2) + set click here to show and hide
3	0.73300	0.91250	0.50000
4	0.76700	0.08750	0.50000
(1/2,1/2,0) + set click here to show and hide
5	0.98300	0.66250	0.00000
6	0.01700	0.83750	0.00000
(3/4,1/4,1/2) + set click here to show and hide
7	0.23300	0.41250	0.50000
8	0.26700	0.58750	0.50000
(0,1/2,0)' + set click here to show and hide
9	0.48300	0.66250	0.00000
10	0.51700	0.83750	0.00000
(1/4,1/4,1/2)' + set click here to show and hide
11	0.73300	0.41250	0.50000
12	0.76700	0.58750	0.50000
(1/2,0,0)' + set click here to show and hide
13	0.98300	0.16250	0.00000
14	0.01700	0.33750	0.00000
(3/4,3/4,1/2)' + set click here to show and hide
15	0.23300	0.91250	0.50000
16	0.26700	0.08750	0.50000

Set of atoms in the unit cell related by symmetry with the atom S1:

Atom	x	y	z
1	0.37050	0.02000	0.00000
2	0.62950	0.48000	0.00000
(1/4,3/4,1/2) + set click here to show and hide
3	0.62050	0.77000	0.50000
4	0.87950	0.23000	0.50000
(1/2,1/2,0) + set click here to show and hide
5	0.87050	0.52000	0.00000
6	0.12950	0.98000	0.00000
(3/4,1/4,1/2) + set click here to show and hide
7	0.12050	0.27000	0.50000
8	0.37950	0.73000	0.50000
(0,1/2,0)' + set click here to show and hide
9	0.37050	0.52000	0.00000
10	0.62950	0.98000	0.00000
(1/4,1/4,1/2)' + set click here to show and hide
11	0.62050	0.27000	0.50000
12	0.87950	0.73000	0.50000
(1/2,0,0)' + set click here to show and hide
13	0.87050	0.02000	0.00000
14	0.12950	0.48000	0.00000
(3/4,3/4,1/2)' + set click here to show and hide
15	0.12050	0.77000	0.50000
16	0.37950	0.23000	0.50000

Set of atoms in the unit cell related by symmetry with the atom S2:

Atom	x	y	z
1	0.29200	0.33800	0.00000
2	0.70800	0.16200	0.00000
(1/4,3/4,1/2) + set click here to show and hide
3	0.54200	0.08800	0.50000
4	0.95800	0.91200	0.50000
(1/2,1/2,0) + set click here to show and hide
5	0.79200	0.83800	0.00000
6	0.20800	0.66200	0.00000
(3/4,1/4,1/2) + set click here to show and hide
7	0.04200	0.58800	0.50000
8	0.45800	0.41200	0.50000
(0,1/2,0)' + set click here to show and hide
9	0.29200	0.83800	0.00000
10	0.70800	0.66200	0.00000
(1/4,1/4,1/2)' + set click here to show and hide
11	0.54200	0.58800	0.50000
12	0.95800	0.41200	0.50000
(1/2,0,0)' + set click here to show and hide
13	0.79200	0.33800	0.00000
14	0.20800	0.16200	0.00000
(3/4,3/4,1/2)' + set click here to show and hide
15	0.04200	0.08800	0.50000
16	0.45800	0.91200	0.50000

[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	0.25400	16	m_x,m_y,0	-0.78	1.57	0.0	1.85

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

label	dim. small irrep	dim. full irrep	action	number of modes
mM2-	1	1	primary	2

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

TlFeS₂ (#1.642)

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

TlFeS2 (#1.642)

TlFeS₂ (#1.642)