Crystal Lab › Prototype structures › Orthorhombic
SbCl₅cdotPOCl₃
Orthorhombic · space group Pnma (No. 62) · Pearson oP44
Symmetry elements and Wyckoff positions (interactive)
SbCl₅cdotPOCl₃ in Pnma
SettingUnit cell
- Lattice constants
- a = 16.420 Å, b = 8.060 Å, c = 8.930 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 1181.8 ų
- Atoms in the conventional cell
- 44 (Cl 32, O 4, P 4, Sb 4)
- Formula units Z
- 4
- Pearson symbol
- oP44 — orthorhombic, primitive lattice, 44 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cl1 | Cl | 4c | 4 | 0.2585 | 0.2500 | 0.9195 |
| Cl2 | Cl | 4c | 4 | 0.0202 | 0.2500 | 0.2048 |
| Cl3 | Cl | 4c | 4 | 0.2249 | 0.2500 | 0.2938 |
| Cl4 | Cl | 4c | 4 | 0.4644 | 0.2500 | 0.8699 |
| O7 | O | 4c | 4 | 0.0706 | 0.2500 | 0.8774 |
| P8 | P | 4c | 4 | 0.0742 | 0.2500 | 0.7142 |
| Sb9 | Sb | 4c | 4 | 0.1450 | 0.2500 | 0.0797 |
| Cl5 | Cl | 8d | 8 | 0.1314 | 0.4442 | 0.6327 |
| Cl6 | Cl | 8d | 8 | 0.1405 | 0.5383 | 0.0597 |
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 44 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
A8BCD_oP44_62_4c2d_c_c_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP44, then the space-group number 62, then the Wyckoff letters occupied by each element in turn (Cl: 4c; Cl: 4c; Cl: 4c; Cl: 4c; O: 4c; P: 4c; Sb: 4c; Cl: 8d; Cl: 8d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
SbCl₅cdotPOCl₃(CH₃)₃ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A8BCD_oP44_62_4c2d_c_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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