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+2/3,x-y+2/3,z,+1	{ 3⁺₀₀₁ \| 2/3 2/3 0 }
3	-x+y,-x+2/3,z,+1	{ 3^-₀₀₁ \| 0 2/3 0 }
4	-y+2/3,-x+2/3,z,+1	{ m₁₁₀ \| 2/3 2/3 0 }
5	x,x-y+2/3,z,+1	{ m₀₁₀ \| 0 2/3 0 }
6	-x+y,y,z,+1	{ m₁₀₀ \| 0 }
7	x,x-y+2/3,-z+1/2,-1	{ 2'₂₁₀ \| 0 2/3 1/2 }
8	-x+y,y,-z+1/2,-1	{ 2'₁₂₀ \| 0 0 1/2 }
9	-y+2/3,-x+2/3,-z+1/2,-1	{ 2'_1-10 \| 2/3 2/3 1/2 }
10	-x+y,-x+2/3,-z+1/2,-1	{ -6'⁺₀₀₁ \| 0 2/3 1/2 }
11	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }
12	-y+2/3,x-y+2/3,-z+1/2,-1	{ -6'^-₀₀₁ \| 2/3 2/3 1/2 }
(1/3,2/3,0) + set click here to show and hide
13	x+1/3,y+2/3,z,+1	{ 1 \| 1/3 2/3 0 }
14	-y,x-y+1/3,z,+1	{ 3⁺₀₀₁ \| 0 1/3 0 }
15	-x+y+1/3,-x+1/3,z,+1	{ 3^-₀₀₁ \| 1/3 1/3 0 }
16	-y,-x+1/3,z,+1	{ m₁₁₀ \| 0 1/3 0 }
17	x+1/3,x-y+1/3,z,+1	{ m₀₁₀ \| 1/3 1/3 0 }
18	-x+y+1/3,y+2/3,z,+1	{ m₁₀₀ \| 1/3 2/3 0 }
19	x+1/3,x-y+1/3,-z+1/2,-1	{ 2'₂₁₀ \| 1/3 1/3 1/2 }
20	-x+y+1/3,y+2/3,-z+1/2,-1	{ 2'₁₂₀ \| 1/3 2/3 1/2 }
21	-y,-x+1/3,-z+1/2,-1	{ 2'_1-10 \| 0 1/3 1/2 }
22	-x+y+1/3,-x+1/3,-z+1/2,-1	{ -6'⁺₀₀₁ \| 1/3 1/3 1/2 }
23	x+1/3,y+2/3,-z+1/2,-1	{ m'₀₀₁ \| 1/3 2/3 1/2 }
24	-y,x-y+1/3,-z+1/2,-1	{ -6'^-₀₀₁ \| 0 1/3 1/2 }
(2/3,1/3,0) + set click here to show and hide
25	x+2/3,y+1/3,z,+1	{ 1 \| 2/3 1/3 0 }
26	-y+1/3,x-y,z,+1	{ 3⁺₀₀₁ \| 1/3 0 0 }
27	-x+y+2/3,-x,z,+1	{ 3^-₀₀₁ \| 2/3 0 0 }
28	-y+1/3,-x,z,+1	{ m₁₁₀ \| 1/3 0 0 }
29	x+2/3,x-y,z,+1	{ m₀₁₀ \| 2/3 0 0 }
30	-x+y+2/3,y+1/3,z,+1	{ m₁₀₀ \| 2/3 1/3 0 }
31	x+2/3,x-y,-z+1/2,-1	{ 2'₂₁₀ \| 2/3 0 1/2 }
32	-x+y+2/3,y+1/3,-z+1/2,-1	{ 2'₁₂₀ \| 2/3 1/3 1/2 }
33	-y+1/3,-x,-z+1/2,-1	{ 2'_1-10 \| 1/3 0 1/2 }
34	-x+y+2/3,-x,-z+1/2,-1	{ -6'⁺₀₀₁ \| 2/3 0 1/2 }
35	x+2/3,y+1/3,-z+1/2,-1	{ m'₀₀₁ \| 2/3 1/3 1/2 }
36	-y+1/3,x-y,-z+1/2,-1	{ -6'^-₀₀₁ \| 1/3 0 1/2 }

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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-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	-y,-x,z,+1	m₁₁₀
5	x,x-y,z,+1	m₀₁₀
6	-x+y,y,z,+1	m₁₀₀
7	x,x-y,-z,-1	2'₂₁₀
8	-x+y,y,-z,-1	2'₁₂₀
9	-y,-x,-z,-1	2'_1-10
10	-x+y,-x,-z,-1	-6'⁺₀₀₁
11	x,y,-z,-1	m'₀₀₁
12	-y,x-y,-z,-1	-6'^-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	18	m_x,0,0	3.16(5)	0.0	0.0	3.16

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cl1_1	Cl	0.05251	0.10502	0.25000	9
Cl1_2	Cl	0.89497	0.94749	0.25000	18
Cl1_3	Cl	0.94749	0.89497	0.75000	9
Cl1_4	Cl	0.10503	0.05251	0.75000	18
Cs1_1	Cs	0.11111	0.22222	0.75000	9
Cs1_2	Cs	0.22222	0.11111	0.25000	6
Cs1_3	Cs	0.22222	0.44444	0.25000	3

[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,0,0	3.16000	0.00000	0.00000
2	0.66667	0.66667	0.00000	0,m_x,0	0.00000	3.16000	0.00000
3	0.00000	0.66667	0.00000	-m_x,-m_x,0	-3.16000	-3.16000	0.00000
4	0.00000	0.66667	0.50000	-m_x,-m_x,0	-3.16000	-3.16000	0.00000
5	0.00000	0.00000	0.50000	m_x,0,0	3.16000	0.00000	0.00000
6	0.66667	0.66667	0.50000	0,m_x,0	0.00000	3.16000	0.00000
(1/3,2/3,0) + set click here to show and hide
7	0.33333	0.66667	0.00000	m_x,0,0	3.16000	0.00000	0.00000
8	0.00000	0.33333	0.00000	0,m_x,0	0.00000	3.16000	0.00000
9	0.33333	0.33333	0.00000	-m_x,-m_x,0	-3.16000	-3.16000	0.00000
10	0.33333	0.33333	0.50000	-m_x,-m_x,0	-3.16000	-3.16000	0.00000
11	0.33333	0.66667	0.50000	m_x,0,0	3.16000	0.00000	0.00000
12	0.00000	0.33333	0.50000	0,m_x,0	0.00000	3.16000	0.00000
(2/3,1/3,0) + set click here to show and hide
13	0.66667	0.33333	0.00000	m_x,0,0	3.16000	0.00000	0.00000
14	0.33333	0.00000	0.00000	0,m_x,0	0.00000	3.16000	0.00000
15	0.66667	0.00000	0.00000	-m_x,-m_x,0	-3.16000	-3.16000	0.00000
16	0.66667	0.00000	0.50000	-m_x,-m_x,0	-3.16000	-3.16000	0.00000
17	0.66667	0.33333	0.50000	m_x,0,0	3.16000	0.00000	0.00000
18	0.33333	0.00000	0.50000	0,m_x,0	0.00000	3.16000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Cl1_1:

Atom	x	y	z
1	0.05251	0.10502	0.25000
2	0.56165	0.61416	0.25000
3	0.05251	0.61416	0.25000
(1/3,2/3,0) + set click here to show and hide
4	0.38584	0.77169	0.25000
5	0.89498	0.28082	0.25000
6	0.38584	0.28082	0.25000
(2/3,1/3,0) + set click here to show and hide
7	0.71918	0.43835	0.25000
8	0.22831	0.94749	0.25000
9	0.71918	0.94749	0.25000

Set of atoms in the unit cell related by symmetry with the atom Cl1_2:

Atom	x	y	z
1	0.89497	0.94749	0.25000
2	0.71918	0.61415	0.25000
3	0.05252	0.77170	0.25000
4	0.71918	0.77170	0.25000
5	0.89497	0.61415	0.25000
6	0.05252	0.94749	0.25000
(1/3,2/3,0) + set click here to show and hide
7	0.22830	0.61416	0.25000
8	0.05251	0.28081	0.25000
9	0.38585	0.43836	0.25000
10	0.05251	0.43836	0.25000
11	0.22830	0.28081	0.25000
12	0.38585	0.61416	0.25000
(2/3,1/3,0) + set click here to show and hide
13	0.56164	0.28082	0.25000
14	0.38584	0.94748	0.25000
15	0.71919	0.10503	0.25000
16	0.38584	0.10503	0.25000
17	0.56164	0.94748	0.25000
18	0.71919	0.28082	0.25000

Set of atoms in the unit cell related by symmetry with the atom Cl1_3:

Atom	x	y	z
1	0.94749	0.89497	0.75000
2	0.77170	0.71919	0.75000
3	0.94748	0.71918	0.75000
(1/3,2/3,0) + set click here to show and hide
4	0.28082	0.56164	0.75000
5	0.10503	0.38585	0.75000
6	0.28081	0.38584	0.75000
(2/3,1/3,0) + set click here to show and hide
7	0.61416	0.22830	0.75000
8	0.43836	0.05252	0.75000
9	0.61415	0.05251	0.75000

Set of atoms in the unit cell related by symmetry with the atom Cl1_4:

Atom	x	y	z
1	0.10503	0.05251	0.75000
2	0.61416	0.71919	0.75000
3	0.94748	0.56164	0.75000
4	0.61416	0.56164	0.75000
5	0.10503	0.71919	0.75000
6	0.94748	0.05251	0.75000
(1/3,2/3,0) + set click here to show and hide
7	0.43836	0.71918	0.75000
8	0.94749	0.38585	0.75000
9	0.28081	0.22830	0.75000
10	0.94749	0.22830	0.75000
11	0.43836	0.38585	0.75000
12	0.28081	0.71918	0.75000
(2/3,1/3,0) + set click here to show and hide
13	0.77170	0.38584	0.75000
14	0.28082	0.05252	0.75000
15	0.61415	0.89497	0.75000
16	0.28082	0.89497	0.75000
17	0.77170	0.05252	0.75000
18	0.61415	0.38584	0.75000

Set of atoms in the unit cell related by symmetry with the atom Cs1_1:

Atom	x	y	z
1	0.11111	0.22222	0.75000
2	0.44445	0.55556	0.75000
3	0.11111	0.55556	0.75000
(1/3,2/3,0) + set click here to show and hide
4	0.44444	0.88889	0.75000
5	0.77778	0.22222	0.75000
6	0.44444	0.22222	0.75000
(2/3,1/3,0) + set click here to show and hide
7	0.77778	0.55555	0.75000
8	0.11111	0.88889	0.75000
9	0.77778	0.88889	0.75000

Set of atoms in the unit cell related by symmetry with the atom Cs1_2:

Atom	x	y	z
1	0.22222	0.11111	0.25000
2	0.55556	0.44445	0.25000
(1/3,2/3,0) + set click here to show and hide
3	0.55555	0.77778	0.25000
4	0.88889	0.11111	0.25000
(2/3,1/3,0) + set click here to show and hide
5	0.88889	0.44444	0.25000
6	0.22222	0.77778	0.25000

Set of atoms in the unit cell related by symmetry with the atom Cs1_3:

Atom	x	y	z
1	0.22222	0.44444	0.25000
(1/3,2/3,0) + set click here to show and hide
2	0.55555	0.11111	0.25000
(2/3,1/3,0) + set click here to show and hide
3	0.88889	0.77777	0.25000

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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	18	m_x,0,0	3.16(5)	0.0	0.0	3.16

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mK6	4	2	special	primary	1

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

CsFeCl₃ (#1.0.14)

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

CsFeCl3 (#1.0.14)

CsFeCl₃ (#1.0.14)