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

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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	0.00000	0.07740	0.24950	16	m_x,m_y,m_z	2.85(3)	0.7(1)	0.5(1)	2.98

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cu1_1	Cu	0.12380	0.16285	0.00600	16
Cu1_2	Cu	0.12620	0.83715	0.25600	16
Si1	Si	0.00000	0.41500	0.00000	16
S1	S	0.00000	0.40800	0.17450	16
S2	S	0.00000	0.07050	0.44150	16
S3_1	S	0.13255	0.16450	0.19400	16
S3_2	S	0.11745	0.83550	0.44400	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	0.00000	0.07740	0.24950	m_x,m_y,m_z	2.85000	0.70000	0.50000
2	0.75000	0.92260	0.49950	-m_x,m_y,-m_z	-2.85000	0.70000	-0.50000
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.57740	0.74950	m_x,m_y,m_z	2.85000	0.70000	0.50000
4	0.75000	0.42260	0.99950	-m_x,m_y,-m_z	-2.85000	0.70000	-0.50000
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.07740	0.74950	m_x,m_y,m_z	2.85000	0.70000	0.50000
6	0.25000	0.92260	0.99950	-m_x,m_y,-m_z	-2.85000	0.70000	-0.50000
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.57740	0.24950	m_x,m_y,m_z	2.85000	0.70000	0.50000
8	0.25000	0.42260	0.49950	-m_x,m_y,-m_z	-2.85000	0.70000	-0.50000
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.07740	0.74950	-m_x,-m_y,-m_z	-2.85000	-0.70000	-0.50000
10	0.75000	0.92260	0.99950	m_x,-m_y,m_z	2.85000	-0.70000	0.50000
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.57740	0.24950	-m_x,-m_y,-m_z	-2.85000	-0.70000	-0.50000
12	0.75000	0.42260	0.49950	m_x,-m_y,m_z	2.85000	-0.70000	0.50000
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.07740	0.24950	-m_x,-m_y,-m_z	-2.85000	-0.70000	-0.50000
14	0.25000	0.92260	0.49950	m_x,-m_y,m_z	2.85000	-0.70000	0.50000
(1/2,1/2,1/2)' + set click here to show and hide
15	0.50000	0.57740	0.74950	-m_x,-m_y,-m_z	-2.85000	-0.70000	-0.50000
16	0.25000	0.42260	0.99950	m_x,-m_y,m_z	2.85000	-0.70000	0.50000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Cu1_1:

Atom	x	y	z
1	0.12380	0.16285	0.00600
2	0.87380	0.83715	0.25600
(0,1/2,1/2) + set click here to show and hide
3	0.12380	0.66285	0.50600
4	0.87380	0.33715	0.75600
(1/2,0,1/2) + set click here to show and hide
5	0.62380	0.16285	0.50600
6	0.37380	0.83715	0.75600
(1/2,1/2,0) + set click here to show and hide
7	0.62380	0.66285	0.00600
8	0.37380	0.33715	0.25600
(0,0,1/2)' + set click here to show and hide
9	0.12380	0.16285	0.50600
10	0.87380	0.83715	0.75600
(0,1/2,0)' + set click here to show and hide
11	0.12380	0.66285	0.00600
12	0.87380	0.33715	0.25600
(1/2,0,0)' + set click here to show and hide
13	0.62380	0.16285	0.00600
14	0.37380	0.83715	0.25600
(1/2,1/2,1/2)' + set click here to show and hide
15	0.62380	0.66285	0.50600
16	0.37380	0.33715	0.75600

Set of atoms in the unit cell related by symmetry with the atom Cu1_2:

Atom	x	y	z
1	0.12620	0.83715	0.25600
2	0.87620	0.16285	0.50600
(0,1/2,1/2) + set click here to show and hide
3	0.12620	0.33715	0.75600
4	0.87620	0.66285	0.00600
(1/2,0,1/2) + set click here to show and hide
5	0.62620	0.83715	0.75600
6	0.37620	0.16285	0.00600
(1/2,1/2,0) + set click here to show and hide
7	0.62620	0.33715	0.25600
8	0.37620	0.66285	0.50600
(0,0,1/2)' + set click here to show and hide
9	0.12620	0.83715	0.75600
10	0.87620	0.16285	0.00600
(0,1/2,0)' + set click here to show and hide
11	0.12620	0.33715	0.25600
12	0.87620	0.66285	0.50600
(1/2,0,0)' + set click here to show and hide
13	0.62620	0.83715	0.25600
14	0.37620	0.16285	0.50600
(1/2,1/2,1/2)' + set click here to show and hide
15	0.62620	0.33715	0.75600
16	0.37620	0.66285	0.00600

Set of atoms in the unit cell related by symmetry with the atom Si1:

Atom	x	y	z
1	0.00000	0.41500	0.00000
2	0.75000	0.58500	0.25000
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.91500	0.50000
4	0.75000	0.08500	0.75000
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.41500	0.50000
6	0.25000	0.58500	0.75000
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.91500	0.00000
8	0.25000	0.08500	0.25000
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.41500	0.50000
10	0.75000	0.58500	0.75000
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.91500	0.00000
12	0.75000	0.08500	0.25000
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.41500	0.00000
14	0.25000	0.58500	0.25000
(1/2,1/2,1/2)' + set click here to show and hide
15	0.50000	0.91500	0.50000
16	0.25000	0.08500	0.75000

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

Atom	x	y	z
1	0.00000	0.40800	0.17450
2	0.75000	0.59200	0.42450
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.90800	0.67450
4	0.75000	0.09200	0.92450
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.40800	0.67450
6	0.25000	0.59200	0.92450
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.90800	0.17450
8	0.25000	0.09200	0.42450
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.40800	0.67450
10	0.75000	0.59200	0.92450
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.90800	0.17450
12	0.75000	0.09200	0.42450
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.40800	0.17450
14	0.25000	0.59200	0.42450
(1/2,1/2,1/2)' + set click here to show and hide
15	0.50000	0.90800	0.67450
16	0.25000	0.09200	0.92450

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

Atom	x	y	z
1	0.00000	0.07050	0.44150
2	0.75000	0.92950	0.69150
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.57050	0.94150
4	0.75000	0.42950	0.19150
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.07050	0.94150
6	0.25000	0.92950	0.19150
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.57050	0.44150
8	0.25000	0.42950	0.69150
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.07050	0.94150
10	0.75000	0.92950	0.19150
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.57050	0.44150
12	0.75000	0.42950	0.69150
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.07050	0.44150
14	0.25000	0.92950	0.69150
(1/2,1/2,1/2)' + set click here to show and hide
15	0.50000	0.57050	0.94150
16	0.25000	0.42950	0.19150

Set of atoms in the unit cell related by symmetry with the atom S3_1:

Atom	x	y	z
1	0.13255	0.16450	0.19400
2	0.88255	0.83550	0.44400
(0,1/2,1/2) + set click here to show and hide
3	0.13255	0.66450	0.69400
4	0.88255	0.33550	0.94400
(1/2,0,1/2) + set click here to show and hide
5	0.63255	0.16450	0.69400
6	0.38255	0.83550	0.94400
(1/2,1/2,0) + set click here to show and hide
7	0.63255	0.66450	0.19400
8	0.38255	0.33550	0.44400
(0,0,1/2)' + set click here to show and hide
9	0.13255	0.16450	0.69400
10	0.88255	0.83550	0.94400
(0,1/2,0)' + set click here to show and hide
11	0.13255	0.66450	0.19400
12	0.88255	0.33550	0.44400
(1/2,0,0)' + set click here to show and hide
13	0.63255	0.16450	0.19400
14	0.38255	0.83550	0.44400
(1/2,1/2,1/2)' + set click here to show and hide
15	0.63255	0.66450	0.69400
16	0.38255	0.33550	0.94400

Set of atoms in the unit cell related by symmetry with the atom S3_2:

Atom	x	y	z
1	0.11745	0.83550	0.44400
2	0.86745	0.16450	0.69400
(0,1/2,1/2) + set click here to show and hide
3	0.11745	0.33550	0.94400
4	0.86745	0.66450	0.19400
(1/2,0,1/2) + set click here to show and hide
5	0.61745	0.83550	0.94400
6	0.36745	0.16450	0.19400
(1/2,1/2,0) + set click here to show and hide
7	0.61745	0.33550	0.44400
8	0.36745	0.66450	0.69400
(0,0,1/2)' + set click here to show and hide
9	0.11745	0.83550	0.94400
10	0.86745	0.16450	0.19400
(0,1/2,0)' + set click here to show and hide
11	0.11745	0.33550	0.44400
12	0.86745	0.66450	0.69400
(1/2,0,0)' + set click here to show and hide
13	0.61745	0.83550	0.44400
14	0.36745	0.16450	0.69400
(1/2,1/2,1/2)' + set click here to show and hide
15	0.61745	0.33550	0.94400
16	0.36745	0.66450	0.19400

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.07740	0.24950	16	m_x,m_y,m_z	2.85(3)	0.7(1)	0.5(1)	2.98

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mR1	2	2	special	primary	3

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

Cu₂FeSiS₄ (#1.731)

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

Cu2FeSiS4 (#1.731)

Cu₂FeSiS₄ (#1.731)