Crystal Lab › Prototype structures › Tetragonal
Zn₃P₂ (D5₉)
Tetragonal · space group P42/nmc (No. 137) · Pearson tP40 · Strukturbericht D59
Symmetry elements and Wyckoff positions (interactive)
Zn₃P₂ (D5₉) in P42/nmc
SettingUnit cell
- Lattice constants
- a = 8.097 Å, b = 8.097 Å, c = 11.450 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 750.7 ų
- Atoms in the conventional cell
- 40 (P 16, Zn 24)
- Formula units Z
- 8
- Pearson symbol
- tP40 — tetragonal, primitive lattice, 40 atoms per conventional cell
- Symmetry operations
- 16 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| P1 | P | 4c | 4 | 0.7500 | 0.2500 | 0.0000 |
| P2 | P | 4d | 4 | 0.2500 | 0.2500 | 0.0110 |
| P3 | P | 8f | 8 | 0.5110 | 0.4890 | 0.2500 |
| Zn4 | Zn | 8g | 8 | 0.2500 | 0.5330 | 0.1470 |
| Zn5 | Zn | 8g | 8 | 0.2500 | 0.4670 | 0.8640 |
| Zn6 | Zn | 8g | 8 | 0.2500 | 0.5000 | 0.6030 |
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 16 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_tP40_137_cdf_3g-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP40, then the space-group number 137, then the Wyckoff letters occupied by each element in turn (P: 4c; P: 4d; P: 8f; Zn: 8g; Zn: 8g; Zn: 8g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
α-As₂Cd₃, α-As₂Zn₃, Cd₃P₂ <!--beginning with an
Note: D5₉.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B3_tP40_137_cdf_3g-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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