Crystal Lab › Prototype structures › Hexagonal
Beryl (Be₃Al₂Si₆O₁₈, S3₁)
Hexagonal · space group P6/mcc (No. 192) · Pearson hP58 · Strukturbericht S31 · mineral: beryl
Symmetry elements and Wyckoff positions (interactive)
Beryl (Be₃Al₂Si₆O₁₈, S3₁) in P6/mcc
SettingUnit cell
- Lattice constants
- a = 9.214 Å, b = 9.214 Å, c = 9.194 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 676.0 ų
- Atoms in the conventional cell
- 58 (Al 4, Be 6, O 36, Si 12)
- Formula units Z
- 2
- Pearson symbol
- hP58 — hexagonal / trigonal, primitive lattice, 58 atoms per conventional cell
- Symmetry operations
- 24 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Al1 | Al | 4c | 4 | 0.3333 | 0.6667 | 0.2500 |
| Be2 | Be | 6f | 6 | 0.5000 | 1.0000 | 0.2500 |
| O3 | O | 12l | 12 | 0.3103 | 0.2369 | 0.0000 |
| Si5 | Si | 12l | 12 | 0.3876 | 0.1159 | 0.0000 |
| O4 | O | 24m | 24 | 0.4985 | 0.1456 | 0.1453 |
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 58 atoms drawn above are these sites multiplied by all 24 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
A2B3C18D6_hP58_192_c_f_lm_l-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP58, then the space-group number 192, then the Wyckoff letters occupied by each element in turn (Al: 4c; Be: 6f; O: 12l; Si: 12l; O: 24m). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Mg₂Al₃Si₆O₁₈ (indialite) <!--beginning with an
Note: S3₁, Beryl.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B3C18D6_hP58_192_c_f_lm_l-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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