Crystal structure data and refinement results for \mathrm{Ca}_{2} \mathrm{SmSbO}_{6} at room temperature. The atomic positions (in fractional coordinates) and isotropic atomic displacement parameters were refined in the space group P 2_{1} / n. (Note: a=5.6062(1) \AA; b=5.8553(1) \AA; c=8.0977(1) \AA; \beta=90.23(1)^{\circ}; R_{\mathrm{wp}}=11.6 \%; R_{\mathrm{B}}=5.13 \%; \chi^{2}=1.72.)
| Atom | Site | x | y | z | \mathrm{~B}\left(\AA^{2}\right) | Occupancy |
|---|---|---|---|---|---|---|
| Sb | 2 c | 0 | 1 / 2 | 0 | 0.40(3) | 1.00 |
| \mathrm{Ca} 1 / \mathrm{Sm} 2 | 2 d | 1 / 2 | 0 | 0 | 0.99(3) | 0.92(1) / 0.08(1) |
| \mathrm{Sm} 1 / \mathrm{Ca} 2 | 4 e | 0.0150(3) | 0.0569(3) | 0.2466(2) | 0.59(4) | 0.92(1) / 0.08(1) |
| O 1 | 4 e | 0.331(1) | 0.293(1) | 0.069(1) | 0.60(1) | 1.00 |
| O 2 | 4 e | 0.289(1) | 0.318(1) | 0.453(1) | 0.60(1) | 1.00 |
| O 3 | 4 e | 0.881(1) | 0.443(1) | 0.269(1) | 0.60(1) | 1.00 |