Table 1 Optimized lattice parameters of CuO
|  |      CuO | ||
|---|---|---|---|
Lattice parameters | Calculated | Experimental | Difference/% |
a/Ã… | 4.68 | 4.69 | 0.21 |
b/Ã… | 3.42 | 3.43 | 0.29 |
c/Ã… | 5.14 | 5.10 | 0.78 |
α,β, γ/° | 90 99.53 90 | 90 99.51 90 | 0.02 |
Cell volume/Ã…3 | 80.59 | 81.37 | 0.96 |