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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

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit 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

SiteElementWyckoffMultiplicityxyz
Al1Al4c40.33330.66670.2500
Be2Be6f60.50001.00000.2500
O3O12l120.31030.23690.0000
Si5Si12l120.38760.11590.0000
O4O24m240.49850.14560.1453

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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