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+1/4,-y+3/4,z+1/2,+1	{ 2₀₀₁ \| 1/4 3/4 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/4,y+3/4,-z+1/2,+1	{ m₀₀₁ \| 1/4 3/4 1/2 }
(3/4,3/4,0) + set click here to show and hide
5	x+3/4,y+3/4,z,+1	{ 1 \| 3/4 3/4 0 }
6	-x,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
7	-x+3/4,-y+3/4,-z,+1	{ -1 \| 3/4 3/4 0 }
8	x,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 0 1/2 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+3/4,-y+1/4,z+1/2,+1	{ 2₀₀₁ \| 3/4 1/4 1/2 }
11	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
12	x+3/4,y+1/4,-z+1/2,+1	{ m₀₀₁ \| 3/4 1/4 1/2 }
(1/4,1/4,0) + set click here to show and hide
13	x+1/4,y+1/4,z,+1	{ 1 \| 1/4 1/4 0 }
14	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
15	-x+1/4,-y+1/4,-z,+1	{ -1 \| 1/4 1/4 0 }
16	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
(3/4,1/4,0)' + set click here to show and hide
17	x+3/4,y+1/4,z,-1	{ 1' \| 3/4 1/4 0 }
18	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
19	-x+3/4,-y+1/4,-z,-1	{ -1' \| 3/4 1/4 0 }
20	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }
(1/4,3/4,0)' + set click here to show and hide
21	x+1/4,y+3/4,z,-1	{ 1' \| 1/4 3/4 0 }
22	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
23	-x+1/4,-y+3/4,-z,-1	{ -1' \| 1/4 3/4 0 }
24	x+1/2,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 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+3/4,-y+3/4,z+1/2,-1	{ 2'₀₀₁ \| 3/4 3/4 1/2 }
27	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
28	x+3/4,y+3/4,-z+1/2,-1	{ m'₀₀₁ \| 3/4 3/4 1/2 }
(0,1/2,0)' + set click here to show and hide
29	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
30	-x+1/4,-y+1/4,z+1/2,-1	{ 2'₀₀₁ \| 1/4 1/4 1/2 }
31	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
32	x+1/4,y+1/4,-z+1/2,-1	{ m'₀₀₁ \| 1/4 1/4 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	0.18005	0.25000	0.00000	32	m_x,m_y,m_z	0.0	0.0	-1.77	1.77

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cs1	Cs	0.25000	0.08090	0.25000	16
Se1	Se	0.00000	0.06115	0.25000	16
Se2_1	Se	0.11360	0.19410	0.25000	16
Se2_2	Se	-0.11360	0.19410	0.25000	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	0.18005	0.25000	0.00000	m_x,m_y,m_z	0.00000	0.00000	-1.77000
2	0.06995	0.50000	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-1.77000
3	0.81995	0.75000	0.00000	m_x,m_y,m_z	0.00000	0.00000	-1.77000
4	0.43005	0.00000	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-1.77000
(3/4,3/4,0) + set click here to show and hide
5	0.93005	0.00000	0.00000	m_x,m_y,m_z	0.00000	0.00000	-1.77000
6	0.81995	0.25000	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-1.77000
7	0.56995	0.50000	0.00000	m_x,m_y,m_z	0.00000	0.00000	-1.77000
8	0.18005	0.75000	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-1.77000
(1/2,1/2,0) + set click here to show and hide
9	0.68005	0.75000	0.00000	m_x,m_y,m_z	0.00000	0.00000	-1.77000
10	0.56995	0.00000	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-1.77000
11	0.31995	0.25000	0.00000	m_x,m_y,m_z	0.00000	0.00000	-1.77000
12	0.93005	0.50000	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-1.77000
(1/4,1/4,0) + set click here to show and hide
13	0.43005	0.50000	0.00000	m_x,m_y,m_z	0.00000	0.00000	-1.77000
14	0.31995	0.75000	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-1.77000
15	0.06995	0.00000	0.00000	m_x,m_y,m_z	0.00000	0.00000	-1.77000
16	0.68005	0.25000	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-1.77000
(3/4,1/4,0)' + set click here to show and hide
17	0.93005	0.50000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	1.77000
18	0.81995	0.75000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	1.77000
19	0.56995	0.00000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	1.77000
20	0.18005	0.25000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	1.77000
(1/4,3/4,0)' + set click here to show and hide
21	0.43005	0.00000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	1.77000
22	0.31995	0.25000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	1.77000
23	0.06995	0.50000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	1.77000
24	0.68005	0.75000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	1.77000
(1/2,0,0)' + set click here to show and hide
25	0.68005	0.25000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	1.77000
26	0.56995	0.50000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	1.77000
27	0.31995	0.75000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	1.77000
28	0.93005	0.00000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	1.77000
(0,1/2,0)' + set click here to show and hide
29	0.18005	0.75000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	1.77000
30	0.06995	0.00000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	1.77000
31	0.81995	0.25000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	1.77000
32	0.43005	0.50000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	1.77000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Cs1:

Atom	x	y	z
1	0.25000	0.08090	0.25000
2	0.00000	0.66910	0.75000
(3/4,3/4,0) + set click here to show and hide
3	0.00000	0.83090	0.25000
4	0.75000	0.41910	0.75000
(1/2,1/2,0) + set click here to show and hide
5	0.75000	0.58090	0.25000
6	0.50000	0.16910	0.75000
(1/4,1/4,0) + set click here to show and hide
7	0.50000	0.33090	0.25000
8	0.25000	0.91910	0.75000
(3/4,1/4,0)' + set click here to show and hide
9	0.00000	0.33090	0.25000
10	0.75000	0.91910	0.75000
(1/4,3/4,0)' + set click here to show and hide
11	0.50000	0.83090	0.25000
12	0.25000	0.41910	0.75000
(1/2,0,0)' + set click here to show and hide
13	0.75000	0.08090	0.25000
14	0.50000	0.66910	0.75000
(0,1/2,0)' + set click here to show and hide
15	0.25000	0.58090	0.25000
16	0.00000	0.16910	0.75000

Set of atoms in the unit cell related by symmetry with the atom Se1:

Atom	x	y	z
1	0.00000	0.06115	0.25000
2	0.25000	0.68885	0.75000
(3/4,3/4,0) + set click here to show and hide
3	0.75000	0.81115	0.25000
4	0.00000	0.43885	0.75000
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.56115	0.25000
6	0.75000	0.18885	0.75000
(1/4,1/4,0) + set click here to show and hide
7	0.25000	0.31115	0.25000
8	0.50000	0.93885	0.75000
(3/4,1/4,0)' + set click here to show and hide
9	0.75000	0.31115	0.25000
10	0.00000	0.93885	0.75000
(1/4,3/4,0)' + set click here to show and hide
11	0.25000	0.81115	0.25000
12	0.50000	0.43885	0.75000
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.06115	0.25000
14	0.75000	0.68885	0.75000
(0,1/2,0)' + set click here to show and hide
15	0.00000	0.56115	0.25000
16	0.25000	0.18885	0.75000

Set of atoms in the unit cell related by symmetry with the atom Se2_1:

Atom	x	y	z
1	0.11360	0.19410	0.25000
2	0.13640	0.55590	0.75000
(3/4,3/4,0) + set click here to show and hide
3	0.86360	0.94410	0.25000
4	0.88640	0.30590	0.75000
(1/2,1/2,0) + set click here to show and hide
5	0.61360	0.69410	0.25000
6	0.63640	0.05590	0.75000
(1/4,1/4,0) + set click here to show and hide
7	0.36360	0.44410	0.25000
8	0.38640	0.80590	0.75000
(3/4,1/4,0)' + set click here to show and hide
9	0.86360	0.44410	0.25000
10	0.88640	0.80590	0.75000
(1/4,3/4,0)' + set click here to show and hide
11	0.36360	0.94410	0.25000
12	0.38640	0.30590	0.75000
(1/2,0,0)' + set click here to show and hide
13	0.61360	0.19410	0.25000
14	0.63640	0.55590	0.75000
(0,1/2,0)' + set click here to show and hide
15	0.11360	0.69410	0.25000
16	0.13640	0.05590	0.75000

Set of atoms in the unit cell related by symmetry with the atom Se2_2:

Atom	x	y	z
1	0.88640	0.19410	0.25000
2	0.36360	0.55590	0.75000
(3/4,3/4,0) + set click here to show and hide
3	0.63640	0.94410	0.25000
4	0.11360	0.30590	0.75000
(1/2,1/2,0) + set click here to show and hide
5	0.38640	0.69410	0.25000
6	0.86360	0.05590	0.75000
(1/4,1/4,0) + set click here to show and hide
7	0.13640	0.44410	0.25000
8	0.61360	0.80590	0.75000
(3/4,1/4,0)' + set click here to show and hide
9	0.63640	0.44410	0.25000
10	0.11360	0.80590	0.75000
(1/4,3/4,0)' + set click here to show and hide
11	0.13640	0.94410	0.25000
12	0.61360	0.30590	0.75000
(1/2,0,0)' + set click here to show and hide
13	0.38640	0.19410	0.25000
14	0.86360	0.55590	0.75000
(0,1/2,0)' + set click here to show and hide
15	0.88640	0.69410	0.25000
16	0.36360	0.05590	0.75000

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.18005	0.25000	0.00000	32	m_x,m_y,m_z	0.0	0.0	-1.77	1.77

[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	0.18005	0.25000	0.00000	m_x,m_y,m_z	0.00000	0.00000	-1.77000
2	0.06995	0.50000	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-1.77000
3	0.81995	0.75000	0.00000	m_x,m_y,m_z	0.00000	0.00000	-1.77000
4	0.43005	0.00000	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-1.77000
(3/4,3/4,0) + set click here to show and hide
5	0.93005	0.00000	0.00000	m_x,m_y,m_z	0.00000	0.00000	-1.77000
6	0.81995	0.25000	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-1.77000
7	0.56995	0.50000	0.00000	m_x,m_y,m_z	0.00000	0.00000	-1.77000
8	0.18005	0.75000	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-1.77000
(1/2,1/2,0) + set click here to show and hide
9	0.68005	0.75000	0.00000	m_x,m_y,m_z	0.00000	0.00000	-1.77000
10	0.56995	0.00000	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-1.77000
11	0.31995	0.25000	0.00000	m_x,m_y,m_z	0.00000	0.00000	-1.77000
12	0.93005	0.50000	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-1.77000
(1/4,1/4,0) + set click here to show and hide
13	0.43005	0.50000	0.00000	m_x,m_y,m_z	0.00000	0.00000	-1.77000
14	0.31995	0.75000	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-1.77000
15	0.06995	0.00000	0.00000	m_x,m_y,m_z	0.00000	0.00000	-1.77000
16	0.68005	0.25000	0.50000	-m_x,-m_y,m_z	0.00000	0.00000	-1.77000
(3/4,1/4,0)' + set click here to show and hide
17	0.93005	0.50000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	1.77000
18	0.81995	0.75000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	1.77000
19	0.56995	0.00000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	1.77000
20	0.18005	0.25000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	1.77000
(1/4,3/4,0)' + set click here to show and hide
21	0.43005	0.00000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	1.77000
22	0.31995	0.25000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	1.77000
23	0.06995	0.50000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	1.77000
24	0.68005	0.75000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	1.77000
(1/2,0,0)' + set click here to show and hide
25	0.68005	0.25000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	1.77000
26	0.56995	0.50000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	1.77000
27	0.31995	0.75000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	1.77000
28	0.93005	0.00000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	1.77000
(0,1/2,0)' + set click here to show and hide
29	0.18005	0.75000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	1.77000
30	0.06995	0.00000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	1.77000
31	0.81995	0.25000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	1.77000
32	0.43005	0.50000	0.50000	m_x,m_y,-m_z	0.00000	0.00000	1.77000

[Hide]

label	dim. full irrep	dim. small irrep	direction	action
mS2+	2	2	special	primary

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

CsFe₂Se₃ (#1.26)

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

CsFe2Se3 (#1.26)

CsFe₂Se₃ (#1.26)