Crystal structure data and refinement results for \operatorname{SrPr} M \mathrm{RuO}_{6}(M=\mathrm{Zn}, \mathrm{Co}, \mathrm{Mg}, \mathrm{Ni}) from NPD at RT, refining all mode amplitudes. \mathrm{Sr} / \mathrm{Pr}(4 \mathrm{e}(x, y, z), \mathrm{occ}=0.5 / 0.5), M(2 \mathrm{ b}(0,0,1 / 2), \mathrm{occ}=1), \mathrm{Ru}(2 \mathrm{a}(0,0,0), \mathrm{occ}=1), \mathrm{O}(4 \mathrm{e}(x, y, z), \mathrm{occ}=1).
| \mathrm{SrPrZnRuO}_{6} | \mathrm{SrPrCoRuO}_{6} | \mathrm{SrPrMgRuO}_{6} | \mathrm{SrPrNiRuO}_{6} | ||
|---|---|---|---|---|---|
| Space group | P 2_{1} / n | P 2_{1} / n | P 2_{1} / n | P 2_{1} / n | |
| Sr/Pr | x | -0.0053(9) | -0.0067(9) | -0.008(1) | -0.003(1) |
| y | 0.4672(3) | 0.4693(4) | 0.4760(5) | 0.4728(5) | |
| z | 0.754(2) | 0.752(1) | 0.748(2) | 0.754(2) | |
| B_{\text {iso }}\left(\AA^{2}\right) | 0.84(2) | 0.53(4) | 0.63(3) | 0.63(4) | |
| M | B_{\text {iso }}\left(\AA^{2}\right) | 0.37(2) | 0.12(2) | 0.04(2) | 0.15(1) |
| Ru | B_{\text {iso }}\left(\AA^{2}\right) | 0.37(2) | 0.12(2) | 0.04(2) | 0.15(1) |
| O1 | x | -0.278(1) | -0.278(1) | -0.273(1) | -0.285(1) |
| y | 0.215(1) | 0.214(1) | 0.220(1) | 0.212(1) | |
| z | -0.0377(8) | -0.0291(8) | -0.033(1) | -0.0374(8) | |
| B_{\text {iso }}\left(\AA^{2}\right) | 0.92(1) | 0.72(2) | 0.70(2) | 0.69(2) | |
| O2 | x | -0.796(1) | -0.790(1) | -0.794(1) | -0.784(2) |
| y | 0.291(1) | 0.285(1) | 0.285(1) | 0.279(1) | |
| z | 0.0377(8) | 0.0381(8) | 0.033(1) | 0.0334(8) | |
| B_{\text {iso }}\left(\AA^{2}\right) | 0.92(1) | 0.72(2) | 0.70(2) | 0.69(2) | |
| O3 | x | 0.0704(6) | 0.0709(6) | 0.0642(7) | 0.0649(7) |
| y | 0.0150(5) | 0.0109(6) | 0.0083(7) | 0.0125(6) | |
| z | 0.757(1) | 0.755(1) | 0.751(1) | 0.7541(8) | |
| B_{\text {iso }}\left(\AA^{2}\right) | 0.92(1) | 0.72(2) | 0.70(2) | 0.69(2) | |
| a(\AA) | 5.56808(8) | 5.5550(1) | 5.5590(1) | 5.54586(8) | |
| b (Å) | 5.59283(7) | 5.5608(1) | 5.5559(1) | 5.54072(7) | |
| c(\AA) | 7.8739(1) | 7.8475(1) | 7.8502(1) | 7.82905(9) | |
| \beta (deg) | 90.025(4) | 90.051(4) | 89.954(4) | 90.081(1) | |
| V\left(\AA^{3}\right) | 245.205(6) | 242.412(8) | 242.454(9) | 240.571(5) | |
| R_{\mathrm{p}} (%) | 3.43 | 2.26 | 3.07 | 3.72 | |
| R_{\mathrm{wp}} (%) | 4.58 | 2.96 | 4.66 | 4.98 | |
| R_{\text {exp }} (%) | 3.00 | 3.84 | 3.89 | 3.94 | |
| \chi^{2} | 2.34 | 0.60 | 1.43 | 1.60 | |
| R_{\text {Bragg }}(\%) | 4.51 | 3.89 | 3.60 | 3.07 |