Bond lengths ( \AA), octahedra tilt angles ( { }^{\circ}) selected angles ( { }^{\circ}) and bond-valence sum for \mathrm{Sr} L n \mathrm{FeRuO}_{6}(L n=\mathrm{La}, \mathrm{Pr}, \mathrm{Nd}) at room temperature obtained from NPD data using Pbnm structural model and refining all mode amplitudes. \mathrm{Sr} / \mathrm{Ln}-O distance in nine coordination is chosen since it is the highest coordination number available for all tabulated rare-earths.
| SrLaFeRuO6 | SrPrFeRuO6 | SrNdFeRuO6 | |
|---|---|---|---|
| Sr/Ln-O1(×1) | 2.668(7) | 2.621(5) | 2.603(4) |
| Sr/Ln-O1(x1) | 2.927(7) | 2.995(5) | 3.022(4) |
| Sr/Ln-O1(x1) | 2.423(6) | 2.347(7) | 2.327(5) |
| Sr/Ln-O1(×1) | 3.159(6) | 3.213(7) | 3.225(5) |
| Sr/Ln-O2( \times 2 ) | 3.109(4) | 3.161(4) | 3.180(3) |
| Sr/Ln-O2( \times 2 ) | 2.544(4) | 2.525(4) | 2.527(3) |
| \mathrm{Sr} / \operatorname{Ln}-\mathrm{O} 2(\times 2) | 2.791(4) | 2.741(4) | 2.734(3) |
| \mathrm{Sr} / \operatorname{Ln} n-\mathrm{O} 2(\times 2) | 2.707(4) | 2.710(5) | 2.683(3) |
| <\mathrm{Sr} / Ln-O2 (\times 2)>_{\text {coord } .9} | 2.68(1) | 2.66(1) | 2.65(1) |
| Tilt angle \psi_{[001] P} | 5.05(7) | 6.37(6) | 6.39(5) |
| Tilt angle \phi_{[110] P} | 10.70(1) | 12.71(1) | 13.48(1) |
| \mathrm{Fe} / \mathrm{Ru}-\mathrm{O}_{1 a x}(\times 2) | 1.999(1) | 2.009(1) | 2.011(1) |
| \mathrm{Fe} / \mathrm{Ru}-\mathrm{O} 2_{\text {eq }}(\times 2) | 1.984(3) | 1.989(3) | 1.992(2) |
| \mathrm{Fe} / \mathrm{Ru}-\mathrm{O} 2^{\prime}{ }_{\text {eq }}(\times 2) | 1.989(3) | 1.984(3) | 1.977(2) |
| Average distance | 1.99(1) | 1.99(1) | 1.99(1) |
| \angle \mathrm{O} 1_{a x}-\mathrm{Fe} / \mathrm{Ru}-\mathrm{O} 2_{e q} | 89.1(1) | 87.7(1) | 87.2(1) |
| \angle \mathrm{O} 1_{a x}-\mathrm{Fe} / \mathrm{Ru}-\mathrm{O} 2^{\prime}{ }_{\text {eq }} | 91.2(1) | 92.5(1) | 92.7(1) |
| \angle \mathrm{O} 2_{\text {eq }}-\mathrm{Fe} / \mathrm{Ru}-\mathrm{O} 2^{\prime}{ }_{\text {eq }} | 91.0(1) | 90.8(1) | 90.8(1) |
| \angle \mathrm{Fe} / \mathrm{Ru}-\mathrm{O} 1_{a x}-\mathrm{Ru} / \mathrm{Fe} | 158.6(2) | 154.6(2) | 153.2(2) |
| \angle \mathrm{Fe} / \mathrm{Ru}-\mathrm{O} 2_{e q}-\mathrm{Ru} / \mathrm{Fe} | 163.5(2) | 161.6(2) | 161.4(2) |
| Bond-Valence sum | |||
| Fe | 3.21(1) | 3.18(1) | 3.19(1) |
| Ru | 3.93(1) | 3.90(1) | 3.90(1) |