Crystal Lab › Prototype structures › Orthorhombic
CdSnP₁₄ (HgPbP₁₄)
Orthorhombic · space group Pnma (No. 62) · Pearson oP64
Symmetry elements and Wyckoff positions (interactive)
CdSnP₁₄ (HgPbP₁₄) in Pnma
SettingUnit cell
- Lattice constants
- a = 12.817 Å, b = 9.826 Å, c = 10.775 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 1357.0 ų
- Atoms in the conventional cell
- 64 (Cd 4, P 56, Sn 4)
- Formula units Z
- 4
- Pearson symbol
- oP64 — orthorhombic, primitive lattice, 64 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cd1 | Cd | 4c | 4 | 0.1832 | 0.2500 | 0.0048 |
| P2 | P | 4c | 4 | 0.0305 | 0.2500 | 0.8372 |
| P3 | P | 4c | 4 | 0.4442 | 0.2500 | 0.2206 |
| P4 | P | 4c | 4 | 0.0857 | 0.2500 | 0.4007 |
| P5 | P | 4c | 4 | 0.3314 | 0.2500 | 0.8477 |
| Sn11 | Sn | 4c | 4 | 0.3294 | 0.2500 | 0.5989 |
| P10 | P | 8d | 8 | 0.1395 | 0.0433 | 0.1393 |
| P6 | P | 8d | 8 | 0.4700 | 0.0752 | 0.3479 |
| P7 | P | 8d | 8 | 0.0685 | 0.0824 | 0.7099 |
| P8 | P | 8d | 8 | 0.4256 | 0.0804 | 0.9176 |
| P9 | P | 8d | 8 | 0.1789 | 0.0756 | 0.3341 |
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 64 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
AB14C_oP64_62_c_4c5d_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP64, then the space-group number 62, then the Wyckoff letters occupied by each element in turn (Cd: 4c; P: 4c; P: 4c; P: 4c; P: 4c; Sn: 4c; P: 8d; P: 8d; P: 8d; P: 8d; P: 8d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
CdPbP₁₄, HgPbP₁₄, HgSnP₁₄, ZnPbP₁₄, ZnSnP₁₄ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB14C_oP64_62_c_4c5d_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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