Table 1.
Unit cell parameters and results of the Rietveld refinement for Cs2RuO4 (crystalline powder) compared with those from single crystal14
| Formula unit | Cs2RuO4 | |
|---|---|---|
| This work | Fischer and Hoppe14 | |
| a | 8.506(1) Å | 8.512(1) Å |
| b | 6.472(1) Å | 6.475(1) Å |
| c | 11.460(1) Å | 11.458(2) Å |
| V | 630.9 Å3 | 631.5 Å3 |
| Space group | Pnma (N°= 62) | Pnma (N°= 62) |
| Z | 4 | 4 |
| Refined parameters | 67 | |
| Rwp | 4.53% | |
| RP | 3.11% | |
| RB | 7.50% | |
| Rexp | 2.13% | |
| GOF | 2.11 | |
RP = Σ[yi(obs) − yi(calc)]/Σyi(obs); Rwp = {Σwi[yi(obs) − yi(calc)]2/Σyi(obs)}1/2.
RB = Σ[Ihkl(obs) − Ihkl(calc)]/ΣIhkl(obs); GOF = Rwp/Rexp.
GOF, Goodness of the Fit.