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,-z,+1	{ -1 \| 0 }
(1/6,2/3,5/6) + set click here to show and hide
3	x+1/6,y+2/3,z+5/6,+1	{ 1 \| 1/6 2/3 5/6 }
4	-x+1/6,-y+2/3,-z+5/6,+1	{ -1 \| 1/6 2/3 5/6 }
(1/3,1/3,2/3) + set click here to show and hide
5	x+1/3,y+1/3,z+2/3,+1	{ 1 \| 1/3 1/3 2/3 }
6	-x+1/3,-y+1/3,-z+2/3,+1	{ -1 \| 1/3 1/3 2/3 }
(1/2,0,1/2) + set click here to show and hide
7	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
8	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
(2/3,2/3,1/3) + set click here to show and hide
9	x+2/3,y+2/3,z+1/3,+1	{ 1 \| 2/3 2/3 1/3 }
10	-x+2/3,-y+2/3,-z+1/3,+1	{ -1 \| 2/3 2/3 1/3 }
(5/6,1/3,1/6) + set click here to show and hide
11	x+5/6,y+1/3,z+1/6,+1	{ 1 \| 5/6 1/3 1/6 }
12	-x+5/6,-y+1/3,-z+1/6,+1	{ -1 \| 5/6 1/3 1/6 }
(1/3,1/3,1/6)' + set click here to show and hide
13	x+1/3,y+1/3,z+1/6,-1	{ 1' \| 1/3 1/3 1/6 }
14	-x+1/3,-y+1/3,-z+1/6,-1	{ -1' \| 1/3 1/3 1/6 }
(1/2,0,0)' + set click here to show and hide
15	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
16	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
(2/3,2/3,5/6)' + set click here to show and hide
17	x+2/3,y+2/3,z+5/6,-1	{ 1' \| 2/3 2/3 5/6 }
18	-x+2/3,-y+2/3,-z+5/6,-1	{ -1' \| 2/3 2/3 5/6 }
(5/6,1/3,2/3)' + set click here to show and hide
19	x+5/6,y+1/3,z+2/3,-1	{ 1' \| 5/6 1/3 2/3 }
20	-x+5/6,-y+1/3,-z+2/3,-1	{ -1' \| 5/6 1/3 2/3 }
(0,0,1/2)' + set click here to show and hide
21	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
22	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
(1/6,2/3,1/3)' + set click here to show and hide
23	x+1/6,y+2/3,z+1/3,-1	{ 1' \| 1/6 2/3 1/3 }
24	-x+1/6,-y+2/3,-z+1/3,-1	{ -1' \| 1/6 2/3 1/3 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,-y,-z,-1	-1'

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	0.08325	24	m_x,m_y,m_z	0.0	0.0	4.9	4.90

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1	P	0.00000	0.00000	0.22430	24
Se1_1	Se	0.16410	0.00730	0.04005	24
Se1_2	Se	0.99635	0.32090	0.04005	24
Se1_3	Se	0.83955	0.67180	0.04005	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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.08325	m_x,m_y,m_z	0.00000	0.00000	4.90000
2	0.00000	0.00000	0.91675	m_x,m_y,m_z	0.00000	0.00000	4.90000
(1/6,2/3,5/6) + set click here to show and hide
3	0.16667	0.66667	0.91658	m_x,m_y,m_z	0.00000	0.00000	4.90000
4	0.16667	0.66667	0.75008	m_x,m_y,m_z	0.00000	0.00000	4.90000
(1/3,1/3,2/3) + set click here to show and hide
5	0.33333	0.33333	0.74992	m_x,m_y,m_z	0.00000	0.00000	4.90000
6	0.33333	0.33333	0.58342	m_x,m_y,m_z	0.00000	0.00000	4.90000
(1/2,0,1/2) + set click here to show and hide
7	0.50000	0.00000	0.58325	m_x,m_y,m_z	0.00000	0.00000	4.90000
8	0.50000	0.00000	0.41675	m_x,m_y,m_z	0.00000	0.00000	4.90000
(2/3,2/3,1/3) + set click here to show and hide
9	0.66667	0.66667	0.41658	m_x,m_y,m_z	0.00000	0.00000	4.90000
10	0.66667	0.66667	0.25008	m_x,m_y,m_z	0.00000	0.00000	4.90000
(5/6,1/3,1/6) + set click here to show and hide
11	0.83333	0.33333	0.24992	m_x,m_y,m_z	0.00000	0.00000	4.90000
12	0.83333	0.33333	0.08342	m_x,m_y,m_z	0.00000	0.00000	4.90000
(1/3,1/3,1/6)' + set click here to show and hide
13	0.33333	0.33333	0.24992	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
14	0.33333	0.33333	0.08342	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.00000	0.08325	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
16	0.50000	0.00000	0.91675	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
(2/3,2/3,5/6)' + set click here to show and hide
17	0.66667	0.66667	0.91658	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
18	0.66667	0.66667	0.75008	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
(5/6,1/3,2/3)' + set click here to show and hide
19	0.83333	0.33333	0.74992	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
20	0.83333	0.33333	0.58342	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
(0,0,1/2)' + set click here to show and hide
21	0.00000	0.00000	0.58325	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
22	0.00000	0.00000	0.41675	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
(1/6,2/3,1/3)' + set click here to show and hide
23	0.16667	0.66667	0.41658	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
24	0.16667	0.66667	0.25008	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom P1:

Atom	x	y	z
1	0.00000	0.00000	0.22430
2	0.00000	0.00000	0.77570
(1/6,2/3,5/6) + set click here to show and hide
3	0.16667	0.66667	0.05763
4	0.16667	0.66667	0.60903
(1/3,1/3,2/3) + set click here to show and hide
5	0.33333	0.33333	0.89097
6	0.33333	0.33333	0.44237
(1/2,0,1/2) + set click here to show and hide
7	0.50000	0.00000	0.72430
8	0.50000	0.00000	0.27570
(2/3,2/3,1/3) + set click here to show and hide
9	0.66667	0.66667	0.55763
10	0.66667	0.66667	0.10903
(5/6,1/3,1/6) + set click here to show and hide
11	0.83333	0.33333	0.39097
12	0.83333	0.33333	0.94237
(1/3,1/3,1/6)' + set click here to show and hide
13	0.33333	0.33333	0.39097
14	0.33333	0.33333	0.94237
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.00000	0.22430
16	0.50000	0.00000	0.77570
(2/3,2/3,5/6)' + set click here to show and hide
17	0.66667	0.66667	0.05763
18	0.66667	0.66667	0.60903
(5/6,1/3,2/3)' + set click here to show and hide
19	0.83333	0.33333	0.89097
20	0.83333	0.33333	0.44237
(0,0,1/2)' + set click here to show and hide
21	0.00000	0.00000	0.72430
22	0.00000	0.00000	0.27570
(1/6,2/3,1/3)' + set click here to show and hide
23	0.16667	0.66667	0.55763
24	0.16667	0.66667	0.10903

Set of atoms in the unit cell related by symmetry with the atom Se1_1:

Atom	x	y	z
1	0.16410	0.00730	0.04005
2	0.83590	0.99270	0.95995
(1/6,2/3,5/6) + set click here to show and hide
3	0.33077	0.67397	0.87338
4	0.00257	0.65937	0.79328
(1/3,1/3,2/3) + set click here to show and hide
5	0.49743	0.34063	0.70672
6	0.16923	0.32603	0.62662
(1/2,0,1/2) + set click here to show and hide
7	0.66410	0.00730	0.54005
8	0.33590	0.99270	0.45995
(2/3,2/3,1/3) + set click here to show and hide
9	0.83077	0.67397	0.37338
10	0.50257	0.65937	0.29328
(5/6,1/3,1/6) + set click here to show and hide
11	0.99743	0.34063	0.20672
12	0.66923	0.32603	0.12662
(1/3,1/3,1/6)' + set click here to show and hide
13	0.49743	0.34063	0.20672
14	0.16923	0.32603	0.12662
(1/2,0,0)' + set click here to show and hide
15	0.66410	0.00730	0.04005
16	0.33590	0.99270	0.95995
(2/3,2/3,5/6)' + set click here to show and hide
17	0.83077	0.67397	0.87338
18	0.50257	0.65937	0.79328
(5/6,1/3,2/3)' + set click here to show and hide
19	0.99743	0.34063	0.70672
20	0.66923	0.32603	0.62662
(0,0,1/2)' + set click here to show and hide
21	0.16410	0.00730	0.54005
22	0.83590	0.99270	0.45995
(1/6,2/3,1/3)' + set click here to show and hide
23	0.33077	0.67397	0.37338
24	0.00257	0.65937	0.29328

Set of atoms in the unit cell related by symmetry with the atom Se1_2:

Atom	x	y	z
1	0.99635	0.32090	0.04005
2	0.00365	0.67910	0.95995
(1/6,2/3,5/6) + set click here to show and hide
3	0.16302	0.98757	0.87338
4	0.17032	0.34577	0.79328
(1/3,1/3,2/3) + set click here to show and hide
5	0.32968	0.65423	0.70672
6	0.33698	0.01243	0.62662
(1/2,0,1/2) + set click here to show and hide
7	0.49635	0.32090	0.54005
8	0.50365	0.67910	0.45995
(2/3,2/3,1/3) + set click here to show and hide
9	0.66302	0.98757	0.37338
10	0.67032	0.34577	0.29328
(5/6,1/3,1/6) + set click here to show and hide
11	0.82968	0.65423	0.20672
12	0.83698	0.01243	0.12662
(1/3,1/3,1/6)' + set click here to show and hide
13	0.32968	0.65423	0.20672
14	0.33698	0.01243	0.12662
(1/2,0,0)' + set click here to show and hide
15	0.49635	0.32090	0.04005
16	0.50365	0.67910	0.95995
(2/3,2/3,5/6)' + set click here to show and hide
17	0.66302	0.98757	0.87338
18	0.67032	0.34577	0.79328
(5/6,1/3,2/3)' + set click here to show and hide
19	0.82968	0.65423	0.70672
20	0.83698	0.01243	0.62662
(0,0,1/2)' + set click here to show and hide
21	0.99635	0.32090	0.54005
22	0.00365	0.67910	0.45995
(1/6,2/3,1/3)' + set click here to show and hide
23	0.16302	0.98757	0.37338
24	0.17032	0.34577	0.29328

Set of atoms in the unit cell related by symmetry with the atom Se1_3:

Atom	x	y	z
1	0.83955	0.67180	0.04005
2	0.16045	0.32820	0.95995
(1/6,2/3,5/6) + set click here to show and hide
3	0.00622	0.33847	0.87338
4	0.32712	0.99487	0.79328
(1/3,1/3,2/3) + set click here to show and hide
5	0.17288	0.00513	0.70672
6	0.49378	0.66153	0.62662
(1/2,0,1/2) + set click here to show and hide
7	0.33955	0.67180	0.54005
8	0.66045	0.32820	0.45995
(2/3,2/3,1/3) + set click here to show and hide
9	0.50622	0.33847	0.37338
10	0.82712	0.99487	0.29328
(5/6,1/3,1/6) + set click here to show and hide
11	0.67288	0.00513	0.20672
12	0.99378	0.66153	0.12662
(1/3,1/3,1/6)' + set click here to show and hide
13	0.17288	0.00513	0.20672
14	0.49378	0.66153	0.12662
(1/2,0,0)' + set click here to show and hide
15	0.33955	0.67180	0.04005
16	0.66045	0.32820	0.95995
(2/3,2/3,5/6)' + set click here to show and hide
17	0.50622	0.33847	0.87338
18	0.82712	0.99487	0.79328
(5/6,1/3,2/3)' + set click here to show and hide
19	0.67288	0.00513	0.70672
20	0.99378	0.66153	0.62662
(0,0,1/2)' + set click here to show and hide
21	0.83955	0.67180	0.54005
22	0.16045	0.32820	0.45995
(1/6,2/3,1/3)' + set click here to show and hide
23	0.00622	0.33847	0.37338
24	0.32712	0.99487	0.29328

[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	0.08325	24	m_x,m_y,m_z	0.0	0.0	4.9	4.90

[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	0.08325	m_x,m_y,m_z	0.00000	0.00000	4.90000
2	0.00000	0.00000	0.91675	m_x,m_y,m_z	0.00000	0.00000	4.90000
(1/6,2/3,5/6) + set click here to show and hide
3	0.16667	0.66667	0.91658	m_x,m_y,m_z	0.00000	0.00000	4.90000
4	0.16667	0.66667	0.75008	m_x,m_y,m_z	0.00000	0.00000	4.90000
(1/3,1/3,2/3) + set click here to show and hide
5	0.33333	0.33333	0.74992	m_x,m_y,m_z	0.00000	0.00000	4.90000
6	0.33333	0.33333	0.58342	m_x,m_y,m_z	0.00000	0.00000	4.90000
(1/2,0,1/2) + set click here to show and hide
7	0.50000	0.00000	0.58325	m_x,m_y,m_z	0.00000	0.00000	4.90000
8	0.50000	0.00000	0.41675	m_x,m_y,m_z	0.00000	0.00000	4.90000
(2/3,2/3,1/3) + set click here to show and hide
9	0.66667	0.66667	0.41658	m_x,m_y,m_z	0.00000	0.00000	4.90000
10	0.66667	0.66667	0.25008	m_x,m_y,m_z	0.00000	0.00000	4.90000
(5/6,1/3,1/6) + set click here to show and hide
11	0.83333	0.33333	0.24992	m_x,m_y,m_z	0.00000	0.00000	4.90000
12	0.83333	0.33333	0.08342	m_x,m_y,m_z	0.00000	0.00000	4.90000
(1/3,1/3,1/6)' + set click here to show and hide
13	0.33333	0.33333	0.24992	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
14	0.33333	0.33333	0.08342	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.00000	0.08325	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
16	0.50000	0.00000	0.91675	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
(2/3,2/3,5/6)' + set click here to show and hide
17	0.66667	0.66667	0.91658	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
18	0.66667	0.66667	0.75008	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
(5/6,1/3,2/3)' + set click here to show and hide
19	0.83333	0.33333	0.74992	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
20	0.83333	0.33333	0.58342	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
(0,0,1/2)' + set click here to show and hide
21	0.00000	0.00000	0.58325	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
22	0.00000	0.00000	0.41675	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
(1/6,2/3,1/3)' + set click here to show and hide
23	0.16667	0.66667	0.41658	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000
24	0.16667	0.66667	0.25008	-m_x,-m_y,-m_z	0.00000	0.00000	-4.90000

[Hide]

label	dim. small irrep	dim. full irrep	action	number of modes
mL1+	1	3	primary	3

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

FePSe₃ (#1.210)

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

FePSe3 (#1.210)

FePSe₃ (#1.210)