Crystal Lab › Prototype structures › Tetragonal
Cs₃P₇
Tetragonal · space group P41 (No. 76) · Pearson tP40
Symmetry elements and Wyckoff positions (interactive)
Cs₃P₇ in P41
SettingUnit cell
- Lattice constants
- a = 9.046 Å, b = 9.046 Å, c = 16.714 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 1367.7 ų
- Atoms in the conventional cell
- 40 (Cs 12, P 28)
- Formula units Z
- 4
- Pearson symbol
- tP40 — tetragonal, primitive lattice, 40 atoms per conventional cell
- Symmetry operations
- 4 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cs1 | Cs | 4a | 4 | 0.7435 | 0.3852 | 0.0000 |
| Cs2 | Cs | 4a | 4 | 0.4169 | 0.7330 | 0.8359 |
| Cs3 | Cs | 4a | 4 | 0.0260 | 0.8404 | 0.9914 |
| P10 | P | 4a | 4 | 0.0110 | 0.2900 | 0.8400 |
| P4 | P | 4a | 4 | 0.7900 | 0.6000 | 0.8105 |
| P5 | P | 4a | 4 | 0.4430 | 0.0950 | 0.9470 |
| P6 | P | 4a | 4 | 0.1060 | 0.4730 | 0.8928 |
| P7 | P | 4a | 4 | 0.3570 | 0.0240 | 0.0610 |
| P8 | P | 4a | 4 | 0.6290 | 0.7940 | 0.0170 |
| P9 | P | 4a | 4 | 0.9980 | 0.3410 | 0.7049 |
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 4 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
A3B7_tP40_76_3a_7a-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 76, then the Wyckoff letters occupied by each element in turn (Cs: 4a; Cs: 4a; Cs: 4a; P: 4a; P: 4a; P: 4a; P: 4a; P: 4a; P: 4a; P: 4a). 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 A3B7_tP40_76_3a_7a-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.