lists the main interatomic distances and angles for \mathrm{Sr}_{2} \mathrm{ScSbO}_{6} and \mathrm{Ca}_{2} \mathrm{ScSbO}_{6} phases at room temperature. The structural analysis of both compounds indicates that the \mathrm{Sc}^{3+} and \mathrm{Sb}^{5+} are octahedrally coordinated with the oxygen atoms. The typical \mathrm{Sc}-\mathrm{O} bond lengths of \mathrm{ScO}_{6} octahedra range between 2.04 and 2.10 \AA. Similarly, the \mathrm{Sb}-\mathrm{O} bond lengths of \mathrm{SbO}_{6} octahedra range between 1.96 and 2.01 \AA. The average \langle\mathrm{Sc}-\mathrm{O}\rangle and \langle\mathrm{Sb}-\mathrm{O}\rangle are also close to the calculated
| \mathrm{Sr}_{2} \mathrm{ScSbO}_{6} | \mathrm{Sr}_{2} \mathrm{ScSbO}_{6} | |
|---|---|---|
| \mathrm{ScO}_{6} polyhedra | ||
| Sc-O1 (\times 2) | 2.045(2) | 2.091(9) |
| Sc-O2 (\times 2) | 2.057(2) | 2.092(9) |
| Sc-O2 (\times 2) | 2.085(2) | 2.078(9) |
| Average distance | 2.062(4) | 2.087(4) |
| Predicted distance | 2.145 | 2.145 |
| \mathrm{SbO}_{6} polyhedra | ||
| \mathrm{Sb}-\mathrm{O} 1(\times 2) | 2.006(2) | 1.997(9) |
| \mathrm{Sb}-\mathrm{O} 2(\times 2) | 1.992(2) | 1.992(9) |
| \mathrm{Sb}-\mathrm{O} 3(\times 2) | 1.965(2) | 1.995(9) |
| Average distance | 1.988(4) | 1.995(4) |
| Predicted distance | 2.000 | 2.000 |
| \mathrm{AO}_{n} polyhedra | ||
| A-O1 ( \times 1 ) | 2.746(2) | 2.610(2) |
| A-O1 ( × 1) | 2.622(3) | 2.333(3) |
| A-O1 ( × 1) | 3.113(4) | - |
| A-O1 ( \times 1 ) | 2.900(6) | 2.811(5) |
| A-O2 ( \times 1 ) | 2.792(3) | 2.564(2) |
| A-O2 ( × 1) | 2.610(4) | 2.352(2) |
| A-O2 ( \times 1 ) | 3.128(4) | - |
| A-O2 ( × 1) | 2.849(6) | 2.842(5) |
| A-O3 ( \times 1 ) | 2.940(8) | - |
| A-O3 ( \times 1 ) | 2.767(8) | 2.447(7) |
| A-O3 ( \times 1 ) | 2.584(3) | 2.372(9) |
| A-O3 ( \times 1 ) | 3.111(3) | 3.207(9) |
| Average distance | 2.847(6) | 2.615(6) |
| Predicted distance | 2.84 | 2.63 |
| Sb-O1-Sc ( \times 2 ) | 165.6(5) | 148.6(3) |
| Sb-O2-Sc (\times 2) | 166.0(5) | 149.0(4) |
| Sb-O3-Sc (\times 2) | 164.1(4) | 149.5(4) |
| <\mathrm{Sb}-\mathrm{O}-\mathrm{Sc}> | 165.2 | 149.0 |