Table 1. Crystal and Refinement Parameters for BIGEVOX10 and BISNVOX05 at 25 °C.
| Sample Name | BIGEVOX10 | BISNVOX05 | ||
| Temperature (°C) | 25 °C | 25 °C | ||
| Chemical formula | Bi2V0.9Ge0.1O5.45 | BiVO4 | Bi2V0.95Sn0.05O5.475 | |
| Crystal system | C2 | I2/c | C2 | |
| Lattice parameters (Å) | a = 5.6031(2) | a = 5.225(2) | a = 5.6057(2) | |
| b = 15.3214(5) | b = 11.696(4) | b = 15.3490(4) | ||
| c = 16.5805(5) | c = 5.162(2) | c = 16.6134(5) | ||
| β = 90.053(4)° | β = 90.28(2) | β = 90.038(4)° | ||
| Volume (Å3) | 1423.39(13) | 315.5(1) | 1429.44(11) | |
| Z | 12 | 4 | 12 | |
| Phase fraction | 97.02(7)% | 2.98(1)% | 100% | |
| Density (calc) (g cm–3) | 7.815 | 6.818 | 7.805 | |
| R-factors | Neutron back scattering | Rwp = 0.0170 | Rwp = 0.0134 | |
| Rp = 0.0354 | Rp = 0.0258 | |||
| Rex = 0.0034 | Rex = 0.0035 | |||
| RF2 = 0.0719 | RF2 = 0.0533 | |||
| Neutron 90° | Rwp = 0.0161 | Rwp = 0.141 | ||
| Rp = 0.0262 | Rp = 0.0220 | |||
| Rex = 0.0022 | Rex = 0.0035 | |||
| RF2 = 0.0516 | RF2 = 0.0797 | |||
| X-ray | Rwp = 0.1403 | Rwp = 0.1295 | ||
| Rp = 0.1066 | Rp = 0.0964 | |||
| Rex = 0.0602 | Rex = 0.0559 | |||
| RF2 = 0.1725 | RF2 = 0.1171 | |||
| Totals | Rwp = 0.0172 | Rwp = 0.0147 | ||
| Rp = 0.0891 | Rp = 0.0823 | |||
| No. of variables | 198 | 186 | ||
| χ2 | 24.75 | 16.92 | ||
| No. of profile points | Neut. (bs) | 3790 | 3540 | |
| (90 °C) | 2089 | 2054 | ||
| X-ray | 3440 | 3440 | ||