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-2y+2/3,-y+2/3,-z+1/6,+1	{ 2₁₀₀ \| 2/3 2/3 1/6 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-x+2y+2/3,y+2/3,z+1/6,+1	{ m₁₀₀ \| 2/3 2/3 1/6 }
(0,1/2,1/2) + set click here to show and hide
5	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
6	x-2y+2/3,-y+1/6,-z+2/3,+1	{ 2₁₀₀ \| 2/3 1/6 2/3 }
7	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
8	-x+2y+2/3,y+1/6,z+2/3,+1	{ m₁₀₀ \| 2/3 1/6 2/3 }
(1/3,1/3,1/3) + set click here to show and hide
9	x+1/3,y+1/3,z+1/3,+1	{ 1 \| 1/3 1/3 1/3 }
10	x-2y,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
11	-x+1/3,-y+1/3,-z+1/3,+1	{ -1 \| 1/3 1/3 1/3 }
12	-x+2y,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
(1/3,5/6,5/6) + set click here to show and hide
13	x+1/3,y+5/6,z+5/6,+1	{ 1 \| 1/3 5/6 5/6 }
14	x-2y,-y+1/2,-z,+1	{ 2₁₀₀ \| 0 1/2 0 }
15	-x+1/3,-y+5/6,-z+5/6,+1	{ -1 \| 1/3 5/6 5/6 }
16	-x+2y,y+1/2,z,+1	{ m₁₀₀ \| 0 1/2 0 }
(2/3,1/6,1/6) + set click here to show and hide
17	x+2/3,y+1/6,z+1/6,+1	{ 1 \| 2/3 1/6 1/6 }
18	x-2y+1/3,-y+5/6,-z+1/3,+1	{ 2₁₀₀ \| 1/3 5/6 1/3 }
19	-x+2/3,-y+1/6,-z+1/6,+1	{ -1 \| 2/3 1/6 1/6 }
20	-x+2y+1/3,y+5/6,z+1/3,+1	{ m₁₀₀ \| 1/3 5/6 1/3 }
(2/3,2/3,2/3) + set click here to show and hide
21	x+2/3,y+2/3,z+2/3,+1	{ 1 \| 2/3 2/3 2/3 }
22	x-2y+1/3,-y+1/3,-z+5/6,+1	{ 2₁₀₀ \| 1/3 1/3 5/6 }
23	-x+2/3,-y+2/3,-z+2/3,+1	{ -1 \| 2/3 2/3 2/3 }
24	-x+2y+1/3,y+1/3,z+5/6,+1	{ m₁₀₀ \| 1/3 1/3 5/6 }
(1/3,5/6,1/3)' + set click here to show and hide
25	x+1/3,y+5/6,z+1/3,-1	{ 1' \| 1/3 5/6 1/3 }
26	x-2y,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 0 1/2 1/2 }
27	-x+1/3,-y+5/6,-z+1/3,-1	{ -1' \| 1/3 5/6 1/3 }
28	-x+2y,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 0 1/2 1/2 }
(1/3,1/3,5/6)' + set click here to show and hide
29	x+1/3,y+1/3,z+5/6,-1	{ 1' \| 1/3 1/3 5/6 }
30	x-2y,-y,-z,-1	{ 2'₁₀₀ \| 0 }
31	-x+1/3,-y+1/3,-z+5/6,-1	{ -1' \| 1/3 1/3 5/6 }
32	-x+2y,y,z,-1	{ m'₁₀₀ \| 0 }
(2/3,1/6,2/3)' + set click here to show and hide
33	x+2/3,y+1/6,z+2/3,-1	{ 1' \| 2/3 1/6 2/3 }
34	x-2y+1/3,-y+5/6,-z+5/6,-1	{ 2'₁₀₀ \| 1/3 5/6 5/6 }
35	-x+2/3,-y+1/6,-z+2/3,-1	{ -1' \| 2/3 1/6 2/3 }
36	-x+2y+1/3,y+5/6,z+5/6,-1	{ m'₁₀₀ \| 1/3 5/6 5/6 }
(2/3,2/3,1/6)' + set click here to show and hide
37	x+2/3,y+2/3,z+1/6,-1	{ 1' \| 2/3 2/3 1/6 }
38	x-2y+1/3,-y+1/3,-z+1/3,-1	{ 2'₁₀₀ \| 1/3 1/3 1/3 }
39	-x+2/3,-y+2/3,-z+1/6,-1	{ -1' \| 2/3 2/3 1/6 }
40	-x+2y+1/3,y+1/3,z+1/3,-1	{ m'₁₀₀ \| 1/3 1/3 1/3 }
(0,0,1/2)' + set click here to show and hide
41	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
42	x-2y+2/3,-y+2/3,-z+2/3,-1	{ 2'₁₀₀ \| 2/3 2/3 2/3 }
43	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
44	-x+2y+2/3,y+2/3,z+2/3,-1	{ m'₁₀₀ \| 2/3 2/3 2/3 }
(0,1/2,0)' + set click here to show and hide
45	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
46	x-2y+2/3,-y+1/6,-z+1/6,-1	{ 2'₁₀₀ \| 2/3 1/6 1/6 }
47	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
48	-x+2y+2/3,y+1/6,z+1/6,-1	{ m'₁₀₀ \| 2/3 1/6 1/6 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x-2y,-y,-z,+1	2₁₀₀
3	-x,-y,-z,+1	-1
4	-x+2y,y,z,+1	m₁₀₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x-2y,-y,-z,-1	2'₁₀₀
7	-x,-y,-z,-1	-1'
8	-x+2y,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ce1	Ce	0.00000	0.00000	0.00000	12	m_x,2m_x,m_z	0.184	0.368	0.031	0.32

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
K1	K	0.00000	0.00000	0.25000	12
S1	S	0.00000	0.00000	0.21500	24

[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 Ce1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,2m_x,m_z	0.18400	0.36800	0.03100
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.50000	m_x,2m_x,m_z	0.18400	0.36800	0.03100
(1/3,1/3,1/3) + set click here to show and hide
3	0.33333	0.33333	0.33333	m_x,2m_x,m_z	0.18400	0.36800	0.03100
(1/3,5/6,5/6) + set click here to show and hide
4	0.33333	0.83333	0.83333	m_x,2m_x,m_z	0.18400	0.36800	0.03100
(2/3,1/6,1/6) + set click here to show and hide
5	0.66667	0.16667	0.16667	m_x,2m_x,m_z	0.18400	0.36800	0.03100
(2/3,2/3,2/3) + set click here to show and hide
6	0.66667	0.66667	0.66667	m_x,2m_x,m_z	0.18400	0.36800	0.03100
(1/3,5/6,1/3)' + set click here to show and hide
7	0.33333	0.83333	0.33333	-m_x,-2m_x,-m_z	-0.18400	-0.36800	-0.03100
(1/3,1/3,5/6)' + set click here to show and hide
8	0.33333	0.33333	0.83333	-m_x,-2m_x,-m_z	-0.18400	-0.36800	-0.03100
(2/3,1/6,2/3)' + set click here to show and hide
9	0.66667	0.16667	0.66667	-m_x,-2m_x,-m_z	-0.18400	-0.36800	-0.03100
(2/3,2/3,1/6)' + set click here to show and hide
10	0.66667	0.66667	0.16667	-m_x,-2m_x,-m_z	-0.18400	-0.36800	-0.03100
(0,0,1/2)' + set click here to show and hide
11	0.00000	0.00000	0.50000	-m_x,-2m_x,-m_z	-0.18400	-0.36800	-0.03100
(0,1/2,0)' + set click here to show and hide
12	0.00000	0.50000	0.00000	-m_x,-2m_x,-m_z	-0.18400	-0.36800	-0.03100

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom K1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.75000
(1/3,1/3,1/3) + set click here to show and hide
3	0.33333	0.33333	0.58333
(1/3,5/6,5/6) + set click here to show and hide
4	0.33333	0.83333	0.08333
(2/3,1/6,1/6) + set click here to show and hide
5	0.66667	0.16667	0.41667
(2/3,2/3,2/3) + set click here to show and hide
6	0.66667	0.66667	0.91667
(1/3,5/6,1/3)' + set click here to show and hide
7	0.33333	0.83333	0.58333
(1/3,1/3,5/6)' + set click here to show and hide
8	0.33333	0.33333	0.08333
(2/3,1/6,2/3)' + set click here to show and hide
9	0.66667	0.16667	0.91667
(2/3,2/3,1/6)' + set click here to show and hide
10	0.66667	0.66667	0.41667
(0,0,1/2)' + set click here to show and hide
11	0.00000	0.00000	0.75000
(0,1/2,0)' + set click here to show and hide
12	0.00000	0.50000	0.25000

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

Atom	x	y	z
1	0.00000	0.00000	0.21500
2	0.66667	0.66667	0.95167
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.71500
4	0.66667	0.16667	0.45167
(1/3,1/3,1/3) + set click here to show and hide
5	0.33333	0.33333	0.54833
6	0.00000	0.00000	0.28500
(1/3,5/6,5/6) + set click here to show and hide
7	0.33333	0.83333	0.04833
8	0.00000	0.50000	0.78500
(2/3,1/6,1/6) + set click here to show and hide
9	0.66667	0.16667	0.38167
10	0.33333	0.83333	0.11833
(2/3,2/3,2/3) + set click here to show and hide
11	0.66667	0.66667	0.88167
12	0.33333	0.33333	0.61833
(1/3,5/6,1/3)' + set click here to show and hide
13	0.33333	0.83333	0.54833
14	0.00000	0.50000	0.28500
(1/3,1/3,5/6)' + set click here to show and hide
15	0.33333	0.33333	0.04833
16	0.00000	0.00000	0.78500
(2/3,1/6,2/3)' + set click here to show and hide
17	0.66667	0.16667	0.88167
18	0.33333	0.83333	0.61833
(2/3,2/3,1/6)' + set click here to show and hide
19	0.66667	0.66667	0.38167
20	0.33333	0.33333	0.11833
(0,0,1/2)' + set click here to show and hide
21	0.00000	0.00000	0.71500
22	0.66667	0.66667	0.45167
(0,1/2,0)' + set click here to show and hide
23	0.00000	0.50000	0.21500
24	0.66667	0.16667	0.95167

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ce1	Ce	0.00000	0.00000	0.00000	12	m_x,2m_x,m_z	0.184	0.368	0.031	0.32

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

label	dim. small irrep	dim. full irrep	action	number of modes
mL2+	1	3	primary	2

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

KCeS₂ (#1.627)

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

KCeS2 (#1.627)

KCeS₂ (#1.627)