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Crystal Lab › Prototype structures › Trigonal

V₆C₅

Trigonal · space group P3112 (No. 151) · Pearson hP33

Symmetry elements and Wyckoff positions (interactive)

V₆C₅ in P3112

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

Unit cell

Lattice constants
a = 5.090 Å, b = 5.090 Å, c = 14.400 Å; α = 90.00°, β = 90.00°, γ = 120.00°
Cell volume
323.1 ų
Atoms in the conventional cell
33 (C 15, V 18)
Formula units Z
3
Pearson symbol
hP33 — hexagonal / trigonal, primitive lattice, 33 atoms per conventional cell
Symmetry operations
6 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
C1C3a30.11110.88890.3333
C2C3a30.44440.55560.3333
C3C3a30.77780.22220.3333
C4C3b30.44440.55560.8333
C5C3b30.77780.22220.8333
V6V6c60.11110.22220.9167
V7V6c60.44440.88890.9167
V8V6c60.77780.55560.9167

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 33 atoms drawn above are these sites multiplied by all 6 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

A5B6_hP33_151_3a2b_3c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP33, then the space-group number 151, then the Wyckoff letters occupied by each element in turn (C: 3a; C: 3a; C: 3a; C: 3b; C: 3b; V: 6c; V: 6c; V: 6c). 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 A5B6_hP33_151_3a2b_3c-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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