Crystal Lab › Prototype structures › Monoclinic
Sm₂SCl₄
Monoclinic · space group C12/c1 (No. 15) · Pearson mC28
Symmetry elements and Wyckoff positions (interactive)
Sm₂SCl₄ in C12/c1
SettingUnit cell
- Lattice constants
- a = 15.198 Å, b = 6.394 Å, c = 7.022 Å; α = 90.00°, β = 98.06°, γ = 90.00°
- Cell volume
- 675.6 ų
- Atoms in the conventional cell
- 28 (S 4, Cl 16, Sm 8)
- Formula units Z
- 4
- Pearson symbol
- mC28 — monoclinic, base-centred lattice, 28 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| S3 | S | 4e | 4 | 0.0000 | -0.0664 | 0.2500 |
| Cl1 | Cl | 8f | 8 | 0.2205 | -0.0811 | 0.3193 |
| Cl2 | Cl | 8f | 8 | 0.4113 | 0.8936 | 0.0752 |
| Sm4 | Sm | 8f | 8 | 0.1075 | 0.2074 | 0.0780 |
The multiplicity and the Wyckoff letter say how many copies of the site the group makes in one cell and on which kind of symmetry element the site sits; the 28 atoms drawn above are these sites multiplied by all 8 operations. Press Wyckoff under Colour to see the sites, and tick a symmetry element on the left to see which atoms lie on it.
How to read the label
A4BC2_mC28_15_2f_e_f-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC28, then the space-group number 15, then the Wyckoff letters occupied by each element in turn (S: 4e; Cl: 8f; Cl: 8f; Sm: 8f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Gd₂SCl₄ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A4BC2_mC28_15_2f_e_f-001 (M. J. Mehl et al., Comput. Mater. Sci. 136, S1 (2017); D. Hicks et al., ibid. 161, S1 (2019) and 199, 110450 (2021); S. Eckert et al., ibid. 240, 112988 (2024)). Symmetry elements, Wyckoff assignment and the diagram are computed on this page from the group operations.
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