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K₂SnCl₄cdotH₂O
Orthorhombic · space group Pnma (No. 62) · Pearson oP40
Symmetry elements and Wyckoff positions (interactive)
K₂SnCl₄cdotH₂O in Pnma
SettingUnit cell
- Lattice constants
- a = 11.923 Å, b = 9.077 Å, c = 8.174 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 884.6 ų
- Atoms in the conventional cell
- 40 (Cl 16, H 8, O 4, Sn 4, K 8)
- Formula units Z
- 4
- Pearson symbol
- oP40 — orthorhombic, primitive lattice, 40 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cl1 | Cl | 4c | 4 | 0.1933 | 0.2500 | 0.8395 |
| Cl2 | Cl | 4c | 4 | 0.7350 | 0.2500 | 0.1012 |
| H3 | H | 4c | 4 | 0.0397 | 0.2500 | 0.4228 |
| H4 | H | 4c | 4 | 0.9554 | 0.2500 | 0.5627 |
| O5 | O | 4c | 4 | 0.9607 | 0.2500 | 0.4455 |
| Sn6 | Sn | 4c | 4 | 0.9900 | 0.2500 | 0.0097 |
| Cl7 | Cl | 8d | 8 | 0.0574 | 0.5531 | 0.2062 |
| K8 | K | 8d | 8 | 0.8158 | 0.4825 | 0.3700 |
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 40 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
A4B2C2DE_oP40_62_2cd_2c_d_c_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP40, then the space-group number 62, then the Wyckoff letters occupied by each element in turn (Cl: 4c; Cl: 4c; H: 4c; H: 4c; O: 4c; Sn: 4c; Cl: 8d; K: 8d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A4B2C2DE_oP40_62_2cd_2c_d_c_c-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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