Octahedra tilt angles ( { }^{\circ}), volume of the octahedra ( \AA^{3}), main bond distances ( \AA) and selected angles ( { }^{\circ}) for \mathrm{SrNdMRuO}_{6}(M=\mathrm{Zn}, \mathrm{Co}, \mathrm{Mg}, \mathrm{Ni}) at room temperature. The values were obtained refining all mode amplitudes.
| M | Zn | Co | Mg | Ni |
|---|---|---|---|---|
| \mathrm{MO}_{6} octahedra | ||||
| Tilt angle \psi_{[001] p} | 10.40(8) | 6.6(1) | 5.7(1) | 9.4(1) |
| Tilt angle \phi_{[110] p} | 11.8(2) | 11.0(2) | 11.4(2) | 12.0(3) |
| \mathrm{V}\left(\mathrm{MO}_{6}\right) | 11.43(1) | 11.34(1) | 11.00(1) | 10.99(1) |
| M-O1( \times 2 ) | 2.031(4) | 2.052(6) | 2.044(6) | 1.996(6) |
| M-O2( \times 2 ) | 2.042(4) | 2.009(6) | 1.989(6) | 2.000(6) |
| M-O3( \times 2 ) | 2.073(6) | 2.065(7) | 2.033(9) | 2.073(9) |
| Average distance | 2.049(2) | 2.042(3) | 2.022(3) | 2.023(3) |
| Predicted distance | 2.1105 | 2.0985 | 2.0995 | 2.0605 |
| \mathrm{RuO}_{6} octahedra | ||||
| Tilt angle \psi_{[001] p} | 7.00(9) | 9.6(1) | 9.4(1) | 5.6(1) |
| Tilt angle \phi_{[110] p} | 12.6(2) | 11.8(2) | 11.8(2) | 12.9(3) |
| \mathrm{V}\left(\mathrm{RuO}_{6}\right) | 10.37(1) | 9.97(1) | 10.24(1) | 10.14(1) |
| Ru-O1( \times 2 ) | 1.981(4) | 1.967(6) | 1.977(6) | 1.960(6) |
| Ru-O2( \times 2 ) | 2.016(4) | 1.977(6) | 1.981(6) | 2.015(6) |
| Ru-O3( \times 2 ) | 1.951(6) | 1.931(7) | 1.967(9) | 1.930(9) |
| Average distance | 1.982(2) | 1.958(3) | 1.975(3) | 1.968(3) |
| Predicted distance | 1.9675 | 1.9675 | 1.9675 | 1.9675 |
| LO1-M-O2 | 94.4(3) | 88.4(2) | 87.6(2) | 94.7(2) |
| /O1-M-O3 | 90.7(1) | 90.5(2) | 90.7(2) | 87.7(2) |
| LO2-M-O3 | 90.4(3) | 90.1(2) | 91.2(2) | 90.1(2) |
| CO1-Ru-O2 | 87.4(3) | 93.9(2) | 94.5(2) | 87.3(2) |
| CO1-Ru-O3 | 90.2(1) | 90.3(2) | 90.0(2) | 92.7(2) |
| CO2-Ru-O3 | 90.2(3) | 89.2(2) | 88.0(2) | 90.2(2) |
| \angle M-\mathrm{O} 1-\mathrm{Ru} | 158.7(2) | 155.0(2) | 154.7(2) | 163.1(2) |
| \angle M-\mathrm{O} 2-\mathrm{Ru} | 152.6(4) | 159.7(2) | 162.5(2) | 154.2(2) |
| \angle M-\mathrm{O} 3-\mathrm{Ru} | 155.6(2) | 157.1(1) | 156.8(1) | 155.0(1) |
| Bond-Valence sum | ||||
| M | 2.37(1) | 2.34(2) | 2.47(2) | 2.22(2) |
| Ru | 4.82(3) | 5.13(4) | 4.90(4) | 5.01(4) |