Crystal Lab › Prototype structures › Orthorhombic
K₂S₃
Orthorhombic · space group Cmc21 (No. 36) · Pearson oC20
Symmetry elements and Wyckoff positions (interactive)
K₂S₃ in Cmc21
SettingUnit cell
- Lattice constants
- a = 7.309 Å, b = 9.914 Å, c = 7.473 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 541.5 ų
- Atoms in the conventional cell
- 20 (K 8, S 12)
- Formula units Z
- 4
- Pearson symbol
- oC20 — orthorhombic, base-centred lattice, 20 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| K1 | K | 4a | 4 | 0.0000 | 0.1057 | 0.1145 |
| K2 | K | 4a | 4 | 0.0000 | 0.5732 | 0.8371 |
| S3 | S | 4a | 4 | 0.0000 | 0.7941 | 0.1577 |
| S4 | S | 8b | 8 | 0.2268 | 0.8395 | 0.0000 |
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 20 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
A2B3_oC20_36_2a_ab-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oC20, then the space-group number 36, then the Wyckoff letters occupied by each element in turn (K: 4a; K: 4a; S: 4a; S: 8b). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Cs₂S₃, Cs₂Se₃, Cs₂Te₃, K₂Se₃, Rb₂S₃, Rb₂Se₃ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B3_oC20_36_2a_ab-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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