Insight into the structural, elastic and electronic properties of a new orthorhombic 6O-SiC polytype

Different polytypes of SiC are described and predicted in literature. Here, we report the first occurrence of an orthorhombic 6O-SiC polytype as rock-forming mineral in the nickel laterite mine of Tiebaghi (New Caledonia). This new class of SiC crystallizes in the space group Cmc21 with 12 atoms per unit cell [a = 3.0778(6) Å, b = 5.335(2) Å, c = 15.1219(6) Å, α = 90°, β = 90°, γ = 120°]. The density of 6O-SiC is about 3.22 g/cm3 and the calculated indirect bandgap at room temperature of 3.56 eV is identical to 6H-SiC. Our results suggest that 6O-SiC is the intermediate state in the wurtzite to rocksalt transformation of 6H-SiC.