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Crystal Lab › Prototype structures › Trigonal

Moissanite-15R (SiC, B7)

Trigonal · space group R3m (No. 160) · Pearson hR10 · Strukturbericht B7 · mineral: moissanite

Symmetry elements and Wyckoff positions (interactive)

Moissanite-15R (SiC, B7) in R3m

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

Unit cell

Lattice constants
a = 3.073 Å, b = 3.073 Å, c = 37.700 Å; α = 90.00°, β = 90.00°, γ = 120.00°
Cell volume
308.3 ų
Atoms in the conventional cell
30 (C 15, Si 15)
Formula units Z
15
Pearson symbol
hR10 — hexagonal / trigonal, rhombohedral lattice, 10 atoms per conventional cell
Symmetry operations
18 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
C1C3a30.00000.00000.0000
C2C3a30.00000.00000.1333
C3C3a30.00000.00000.4000
C4C3a30.00000.00000.6000
C5C3a30.00000.00000.8667
Si6Si3a30.00000.00000.0500
Si7Si3a30.00000.00000.1833
Si8Si3a30.00000.00000.4500
Si9Si3a30.00000.00000.6500
Si10Si3a30.00000.00000.9167

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 30 atoms drawn above are these sites multiplied by all 18 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

AB_hR10_160_5a_5a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hR10, then the space-group number 160, then the Wyckoff letters occupied by each element in turn (C: 3a; C: 3a; C: 3a; C: 3a; C: 3a; Si: 3a; Si: 3a; Si: 3a; Si: 3a; Si: 3a). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: B7, 15R Moissanite.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB_hR10_160_5a_5a-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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