Crystal Lab › Prototype structures › Tetragonal
AsPh₄CeS₈P₄Me₈
Tetragonal · space group P4222 (No. 93) · Pearson tP184
Symmetry elements and Wyckoff positions (interactive)
AsPh₄CeS₈P₄Me₈ in P4222
SettingUnit cell
- Lattice constants
- a = 11.461 Å, b = 11.461 Å, c = 33.479 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 4397.6 ų
- Atoms in the conventional cell
- 184 (Ce 4, As 4, C 128, P 16, S 32)
- Formula units Z
- 4
- Pearson symbol
- tP184 — tetragonal, primitive lattice, 184 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ce18 | Ce | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Ce19 | Ce | 2f | 2 | 0.5000 | 0.5000 | 0.2500 |
| As1 | As | 4i | 4 | 0.0000 | 0.5000 | 0.6228 |
| C10 | C | 8p | 8 | 0.3430 | 0.4850 | 0.5842 |
| C11 | C | 8p | 8 | 0.2370 | 0.4630 | 0.6031 |
| C12 | C | 8p | 8 | 0.0080 | 0.3660 | 0.6554 |
| C13 | C | 8p | 8 | 0.0770 | 0.3710 | 0.6892 |
| C14 | C | 8p | 8 | 0.0820 | 0.2730 | 0.7151 |
| C15 | C | 8p | 8 | 0.0230 | 0.1700 | 0.7031 |
| C16 | C | 8p | 8 | 0.9600 | 0.1650 | 0.6678 |
| C17 | C | 8p | 8 | 0.9500 | 0.2650 | 0.6408 |
| C2 | C | 8p | 8 | 0.3690 | 0.1400 | 0.5403 |
| C3 | C | 8p | 8 | 0.2510 | 0.1290 | 0.6173 |
| C4 | C | 8p | 8 | 0.1380 | 0.6470 | 0.7882 |
| C5 | C | 8p | 8 | 0.2150 | 0.5800 | 0.8645 |
| C6 | C | 8p | 8 | 0.1380 | 0.5170 | 0.5910 |
| C7 | C | 8p | 8 | 0.1320 | 0.5800 | 0.5541 |
| C8 | C | 8p | 8 | 0.2440 | 0.6050 | 0.5360 |
| C9 | C | 8p | 8 | 0.3450 | 0.5540 | 0.5495 |
| P20 | P | 8p | 8 | 0.2272 | 0.1019 | 0.5636 |
| P21 | P | 8p | 8 | 0.2601 | 0.5802 | 0.8120 |
| S22 | S | 8p | 8 | 0.1021 | 0.2050 | 0.5436 |
| S23 | S | 8p | 8 | 0.1936 | 0.9324 | 0.5558 |
| S24 | S | 8p | 8 | 0.4040 | 0.6758 | 0.8049 |
| S25 | S | 8p | 8 | 0.2809 | 0.4180 | 0.7912 |
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 184 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
AB32CD4E8_tP184_93_i_16p_af_2p_4p-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP184, then the space-group number 93, then the Wyckoff letters occupied by each element in turn (Ce: 2a; Ce: 2f; As: 4i; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; P: 8p; P: 8p; S: 8p; S: 8p; S: 8p; S: 8p). 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 AB32CD4E8_tP184_93_i_16p_af_2p_4p-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.