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+3/4,-y+1/2,z+1/4,+1	{ m₀₁₀ \| 3/4 1/2 1/4 }
(0,1/2,1/2) + set click here to show and hide
3	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
4	x+3/4,-y,z+3/4,+1	{ m₀₁₀ \| 3/4 0 3/4 }
(1/2,0,1/2) + set click here to show and hide
5	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
6	x+1/4,-y+1/2,z+3/4,+1	{ m₀₁₀ \| 1/4 1/2 3/4 }
(1/2,1/2,0) + set click here to show and hide
7	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
8	x+1/4,-y,z+1/4,+1	{ m₀₁₀ \| 1/4 0 1/4 }
(0,1/2,0)' + set click here to show and hide
9	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
10	x+3/4,-y,z+1/4,-1	{ m'₀₁₀ \| 3/4 0 1/4 }
(0,0,1/2)' + set click here to show and hide
11	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
12	x+3/4,-y+1/2,z+3/4,-1	{ m'₀₁₀ \| 3/4 1/2 3/4 }
(1/2,1/2,1/2)' + set click here to show and hide
13	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
14	x+1/4,-y,z+3/4,-1	{ m'₀₁₀ \| 1/4 0 3/4 }
(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+1/4,-y+1/2,z+1/4,-1	{ m'₀₁₀ \| 1/4 1/2 1/4 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
3	x,y,z,-1	1'
4	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.24060	0.33810	0.18145	16	m_x,m_y,m_z	0.0	2.82(7)	0.0	2.82

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Li1	Li	0.49400	0.16350	0.18600	16
Li2	Li	0.23350	0.07400	0.30300	16
Ge1	Ge	0.24065	0.09135	0.05950	16
S1	S	0.43500	0.07000	0.31350	16
S2	S	0.18400	0.16800	0.17595	16
S3	S	0.46850	0.09650	0.05750	16
S4	S	0.42450	0.33700	0.18700	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	0.24060	0.33810	0.18145	m_x,m_y,m_z	0.00000	2.82000	0.00000
2	0.99060	0.16190	0.43145	-m_x,m_y,-m_z	0.00000	2.82000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.24060	0.83810	0.68145	m_x,m_y,m_z	0.00000	2.82000	0.00000
4	0.99060	0.66190	0.93145	-m_x,m_y,-m_z	0.00000	2.82000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.74060	0.33810	0.68145	m_x,m_y,m_z	0.00000	2.82000	0.00000
6	0.49060	0.16190	0.93145	-m_x,m_y,-m_z	0.00000	2.82000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.74060	0.83810	0.18145	m_x,m_y,m_z	0.00000	2.82000	0.00000
8	0.49060	0.66190	0.43145	-m_x,m_y,-m_z	0.00000	2.82000	0.00000
(0,1/2,0)' + set click here to show and hide
9	0.24060	0.83810	0.18145	-m_x,-m_y,-m_z	0.00000	-2.82000	0.00000
10	0.99060	0.66190	0.43145	m_x,-m_y,m_z	0.00000	-2.82000	0.00000
(0,0,1/2)' + set click here to show and hide
11	0.24060	0.33810	0.68145	-m_x,-m_y,-m_z	0.00000	-2.82000	0.00000
12	0.99060	0.16190	0.93145	m_x,-m_y,m_z	0.00000	-2.82000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
13	0.74060	0.83810	0.68145	-m_x,-m_y,-m_z	0.00000	-2.82000	0.00000
14	0.49060	0.66190	0.93145	m_x,-m_y,m_z	0.00000	-2.82000	0.00000
(1/2,0,0)' + set click here to show and hide
15	0.74060	0.33810	0.18145	-m_x,-m_y,-m_z	0.00000	-2.82000	0.00000
16	0.49060	0.16190	0.43145	m_x,-m_y,m_z	0.00000	-2.82000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Li1:

Atom	x	y	z
1	0.49400	0.16350	0.18600
2	0.24400	0.33650	0.43600
(0,1/2,1/2) + set click here to show and hide
3	0.49400	0.66350	0.68600
4	0.24400	0.83650	0.93600
(1/2,0,1/2) + set click here to show and hide
5	0.99400	0.16350	0.68600
6	0.74400	0.33650	0.93600
(1/2,1/2,0) + set click here to show and hide
7	0.99400	0.66350	0.18600
8	0.74400	0.83650	0.43600
(0,1/2,0)' + set click here to show and hide
9	0.49400	0.66350	0.18600
10	0.24400	0.83650	0.43600
(0,0,1/2)' + set click here to show and hide
11	0.49400	0.16350	0.68600
12	0.24400	0.33650	0.93600
(1/2,1/2,1/2)' + set click here to show and hide
13	0.99400	0.66350	0.68600
14	0.74400	0.83650	0.93600
(1/2,0,0)' + set click here to show and hide
15	0.99400	0.16350	0.18600
16	0.74400	0.33650	0.43600

Set of atoms in the unit cell related by symmetry with the atom Li2:

Atom	x	y	z
1	0.23350	0.07400	0.30300
2	0.98350	0.42600	0.55300
(0,1/2,1/2) + set click here to show and hide
3	0.23350	0.57400	0.80300
4	0.98350	0.92600	0.05300
(1/2,0,1/2) + set click here to show and hide
5	0.73350	0.07400	0.80300
6	0.48350	0.42600	0.05300
(1/2,1/2,0) + set click here to show and hide
7	0.73350	0.57400	0.30300
8	0.48350	0.92600	0.55300
(0,1/2,0)' + set click here to show and hide
9	0.23350	0.57400	0.30300
10	0.98350	0.92600	0.55300
(0,0,1/2)' + set click here to show and hide
11	0.23350	0.07400	0.80300
12	0.98350	0.42600	0.05300
(1/2,1/2,1/2)' + set click here to show and hide
13	0.73350	0.57400	0.80300
14	0.48350	0.92600	0.05300
(1/2,0,0)' + set click here to show and hide
15	0.73350	0.07400	0.30300
16	0.48350	0.42600	0.55300

Set of atoms in the unit cell related by symmetry with the atom Ge1:

Atom	x	y	z
1	0.24065	0.09135	0.05950
2	0.99065	0.40865	0.30950
(0,1/2,1/2) + set click here to show and hide
3	0.24065	0.59135	0.55950
4	0.99065	0.90865	0.80950
(1/2,0,1/2) + set click here to show and hide
5	0.74065	0.09135	0.55950
6	0.49065	0.40865	0.80950
(1/2,1/2,0) + set click here to show and hide
7	0.74065	0.59135	0.05950
8	0.49065	0.90865	0.30950
(0,1/2,0)' + set click here to show and hide
9	0.24065	0.59135	0.05950
10	0.99065	0.90865	0.30950
(0,0,1/2)' + set click here to show and hide
11	0.24065	0.09135	0.55950
12	0.99065	0.40865	0.80950
(1/2,1/2,1/2)' + set click here to show and hide
13	0.74065	0.59135	0.55950
14	0.49065	0.90865	0.80950
(1/2,0,0)' + set click here to show and hide
15	0.74065	0.09135	0.05950
16	0.49065	0.40865	0.30950

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

Atom	x	y	z
1	0.43500	0.07000	0.31350
2	0.18500	0.43000	0.56350
(0,1/2,1/2) + set click here to show and hide
3	0.43500	0.57000	0.81350
4	0.18500	0.93000	0.06350
(1/2,0,1/2) + set click here to show and hide
5	0.93500	0.07000	0.81350
6	0.68500	0.43000	0.06350
(1/2,1/2,0) + set click here to show and hide
7	0.93500	0.57000	0.31350
8	0.68500	0.93000	0.56350
(0,1/2,0)' + set click here to show and hide
9	0.43500	0.57000	0.31350
10	0.18500	0.93000	0.56350
(0,0,1/2)' + set click here to show and hide
11	0.43500	0.07000	0.81350
12	0.18500	0.43000	0.06350
(1/2,1/2,1/2)' + set click here to show and hide
13	0.93500	0.57000	0.81350
14	0.68500	0.93000	0.06350
(1/2,0,0)' + set click here to show and hide
15	0.93500	0.07000	0.31350
16	0.68500	0.43000	0.56350

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

Atom	x	y	z
1	0.18400	0.16800	0.17595
2	0.93400	0.33200	0.42595
(0,1/2,1/2) + set click here to show and hide
3	0.18400	0.66800	0.67595
4	0.93400	0.83200	0.92595
(1/2,0,1/2) + set click here to show and hide
5	0.68400	0.16800	0.67595
6	0.43400	0.33200	0.92595
(1/2,1/2,0) + set click here to show and hide
7	0.68400	0.66800	0.17595
8	0.43400	0.83200	0.42595
(0,1/2,0)' + set click here to show and hide
9	0.18400	0.66800	0.17595
10	0.93400	0.83200	0.42595
(0,0,1/2)' + set click here to show and hide
11	0.18400	0.16800	0.67595
12	0.93400	0.33200	0.92595
(1/2,1/2,1/2)' + set click here to show and hide
13	0.68400	0.66800	0.67595
14	0.43400	0.83200	0.92595
(1/2,0,0)' + set click here to show and hide
15	0.68400	0.16800	0.17595
16	0.43400	0.33200	0.42595

Set of atoms in the unit cell related by symmetry with the atom S3:

Atom	x	y	z
1	0.46850	0.09650	0.05750
2	0.21850	0.40350	0.30750
(0,1/2,1/2) + set click here to show and hide
3	0.46850	0.59650	0.55750
4	0.21850	0.90350	0.80750
(1/2,0,1/2) + set click here to show and hide
5	0.96850	0.09650	0.55750
6	0.71850	0.40350	0.80750
(1/2,1/2,0) + set click here to show and hide
7	0.96850	0.59650	0.05750
8	0.71850	0.90350	0.30750
(0,1/2,0)' + set click here to show and hide
9	0.46850	0.59650	0.05750
10	0.21850	0.90350	0.30750
(0,0,1/2)' + set click here to show and hide
11	0.46850	0.09650	0.55750
12	0.21850	0.40350	0.80750
(1/2,1/2,1/2)' + set click here to show and hide
13	0.96850	0.59650	0.55750
14	0.71850	0.90350	0.80750
(1/2,0,0)' + set click here to show and hide
15	0.96850	0.09650	0.05750
16	0.71850	0.40350	0.30750

Set of atoms in the unit cell related by symmetry with the atom S4:

Atom	x	y	z
1	0.42450	0.33700	0.18700
2	0.17450	0.16300	0.43700
(0,1/2,1/2) + set click here to show and hide
3	0.42450	0.83700	0.68700
4	0.17450	0.66300	0.93700
(1/2,0,1/2) + set click here to show and hide
5	0.92450	0.33700	0.68700
6	0.67450	0.16300	0.93700
(1/2,1/2,0) + set click here to show and hide
7	0.92450	0.83700	0.18700
8	0.67450	0.66300	0.43700
(0,1/2,0)' + set click here to show and hide
9	0.42450	0.83700	0.18700
10	0.17450	0.66300	0.43700
(0,0,1/2)' + set click here to show and hide
11	0.42450	0.33700	0.68700
12	0.17450	0.16300	0.93700
(1/2,1/2,1/2)' + set click here to show and hide
13	0.92450	0.83700	0.68700
14	0.67450	0.66300	0.93700
(1/2,0,0)' + set click here to show and hide
15	0.92450	0.33700	0.18700
16	0.67450	0.16300	0.43700

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.24060	0.33810	0.18145	16	m_x,m_y,m_z	0.0	2.82(7)	0.0	2.82

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

label	dim. small irrep	dim. full irrep	action	number of modes
mC2	1	1	primary	3

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

Li₂FeGeS₄ (#1.735)

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

Li2FeGeS4 (#1.735)

Li₂FeGeS₄ (#1.735)