perovskite atlas Structures, modes and phase transitions · Josu M. Igartua · UPV/EHU

Table 7.3 · Thesis 3 · Iturbe 2012

Table 7.3 · Thesis 3 · Iturbe 2012

status thesis-only · visibility public · id tbl:thesis-03.7.3

Octahedra volume ( \AA^{3}), main bond lengths ( \AA), selected angles ( { }^{\circ}) and bond-valence sum [86] for \mathrm{SrLa} \mathrm{MRuO}_{6}(\mathrm{M}=\mathrm{Zn}, \mathrm{Mg}) at room temperature.

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Thesis 3 · Iturbe 2012
Table
7.3
\mathrm{SrLaZnRuO}_{6} \mathrm{SrLaMgRuO}_{6}
\mathrm{MO}_{6} octahedra
\mathrm{V}\left(\mathrm{MO}_{6}\right) 11.467(2) 10.42(6)
M-O1( \times 2 ) 2.048(6) 1.99(4)
M-O2( \times 2 ) 2.069(6) 2.00(4)
M-O3( \times 2 ) 2.034(9) 1.97(6)
Average distance 2.050(9) 1.99(6)
Predicted distance 2.1105 2.0995
\mathrm{RuO}_{6} octahedra
\mathrm{V}\left(\mathrm{RuO}_{6}\right) 10.195(3) 10.51(5)
Ru-O1( \times 2 ) 1.954(6) 2.00(4)
Ru-O2( \times 2 ) 1.972(6) 1.95(4)
Ru-O3( \times 2 ) 1.985(9) 2.04(6)
Average distance 1.971(9) 2.00(6)
Predicted distance 1.9675 1.9675
<O1-M-O2 93.8(2) 84.1(5)
LO1-M-O3 91.0(2) 91.0(5)
LO2-M-O3 90.3(2) 87.1(5)
CO1-Ru-O2 88.3(2) 97.4(5)
CO1-Ru-O3 91.0(2) 92.3(5)
CO2-Ru-O3 91.2(2) 87.0(5)
\angle M-\mathrm{O} 1-\mathrm{Ru} 162.8(2) 160.1(6)
\angle M-\mathrm{O} 2-\mathrm{Ru} 156.6(2) 170.1(7)
\angle \mathrm{M}-\mathrm{O} 3-\mathrm{Ru} 158.5(1) 158.1(4)
Bond-Valence sum
M 2.36(2) 2.7(1)
Ru 4.96(4) 4.6(2)

Evidence