Crystal Lab › Prototype structures › Orthorhombic
E3₅ (K₂SnCl₄cdotH₂O)
Orthorhombic · space group Pnma (No. 62) · Pearson oP32 · Strukturbericht E35
Symmetry elements and Wyckoff positions (interactive)
E3₅ (K₂SnCl₄cdotH₂O) in Pnma
SettingUnit cell
- Lattice constants
- a = 12.050 Å, b = 9.100 Å, c = 8.250 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 904.7 ų
- Atoms in the conventional cell
- 32 (H 4, Sn 4, Cl 16, K 8)
- Formula units Z
- 4
- Pearson symbol
- oP32 — orthorhombic, primitive lattice, 32 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| H4 | H | 4a | 4 | 0.0000 | 0.0000 | 0.0000 |
| Sn7 | Sn | 4b | 4 | 0.0000 | 0.0000 | 0.5000 |
| Cl1 | Cl | 4c | 4 | 0.9500 | 0.2500 | 0.7100 |
| Cl2 | Cl | 4c | 4 | 0.0500 | 0.2500 | 0.2900 |
| K5 | K | 4c | 4 | 0.2000 | 0.2500 | 0.8400 |
| K6 | K | 4c | 4 | 0.8250 | 0.2500 | 0.1000 |
| Cl3 | Cl | 8d | 8 | 0.2500 | 0.9600 | 0.6200 |
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 32 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
A4BC2D_oP32_62_2cd_a_2c_b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP32, then the space-group number 62, then the Wyckoff letters occupied by each element in turn (H: 4a; Sn: 4b; Cl: 4c; Cl: 4c; K: 4c; K: 4c; Cl: 8d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: E3₅.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A4BC2D_oP32_62_2cd_a_2c_b-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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