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Crystal Lab › Prototype structures › Hexagonal

Rh₂₀Si₁₃

Hexagonal · space group P63/m (No. 176) · Pearson hP34

Symmetry elements and Wyckoff positions (interactive)

Rh₂₀Si₁₃ in P63/m

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

Unit cell

Lattice constants
a = 11.851 Å, b = 11.851 Å, c = 3.623 Å; α = 90.00°, β = 90.00°, γ = 120.00°
Cell volume
440.7 ų
Atoms in the conventional cell
34 (Si 14, Rh 20)
Formula units Z
2
Pearson symbol
hP34 — hexagonal / trigonal, primitive lattice, 34 atoms per conventional cell
Symmetry operations
12 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Si1Si2b20.00000.00000.0000
Rh2Rh2c20.33330.66670.2500
Rh3Rh6h60.18430.99670.2500
Rh4Rh6h60.12830.72750.2500
Rh5Rh6h60.07130.46130.2500
Si6Si6h60.89420.66090.2500
Si7Si6h60.83220.38190.2500

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 34 atoms drawn above are these sites multiplied by all 12 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

A10B7_hP34_176_c3h_b2h-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP34, then the space-group number 176, then the Wyckoff letters occupied by each element in turn (Si: 2b; Rh: 2c; Rh: 6h; Rh: 6h; Rh: 6h; Si: 6h; Si: 6h). 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 A10B7_hP34_176_c3h_b2h-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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