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

Table 4 · Iturbe‐Zabalo et al. 2012

Table 4 · Iturbe‐Zabalo et al. 2012

status published · visibility public · id tbl:10.1016-j.molstruc.2012.08.049.4


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Iturbe‐Zabalo et al. 2012
Table
4
\mathrm{BaLa}_{2} \mathrm{CuTi}_{2} \mathrm{O}_{9} \mathrm{BaPr}_{2} \mathrm{CuTi}_{2} \mathrm{O}_{9} \mathrm{BaNd}_{2} \mathrm{CuTi}_{2} \mathrm{O}_{9}
\mathrm{Ba} / \mathrm{LnO}_{12} polyhedra
\mathrm{Ba} / \mathrm{Ln}-\mathrm{O} 1(\times 4) 2.802(1) 2.792(1) 2.789(1)
\mathrm{Ba} / \mathrm{Ln}-\mathrm{O} 1(\times 4) 2.961(7) 3.004(8) 3.024(9)
\mathrm{Ba} / \mathrm{Ln}-\mathrm{O} 1(\times 4) 2.649(6) 2.592(7) 2.568(7)
\langle\mathrm{Ba} / L n-\mathrm{O}\rangle 2.804(7) 2.796(8) 2.794(9)
Tilt angle \psi_{[001] \mathrm{p}} 6.4(2) 8.4(2) 9.3(2)
\mathrm{Cu} / \mathrm{TiO}_{6} octahedra
\mathrm{Cu} / \mathrm{Ti}-\mathrm{O} 1_{\mathrm{ax}}(\times 2) 1.98(1) 1.97(1) 1.97(1)
\mathrm{Cu} / \mathrm{Ti}-\mathrm{O} 2_{2 \text { eq }}(\times 4) 2.00(1) 2.00(1) 2.00(1)
\langle\mathrm{Cu} / \mathrm{Ti}-\mathrm{O}\rangle 1.99(1) 1.99(1) 1.99(1)
\angle \mathrm{O} 2_{\text {eq }}-\mathrm{Cu} / \mathrm{Ti}-\mathrm{O} 2_{\text {eq }}^{\prime} 90.0(2) 90.0(2) 90.0(2)
\angle \mathrm{Cu} / \mathrm{Ti}-\mathrm{O} 2_{\text {eq }}-\mathrm{Cu} / \mathrm{Ti} 167.2(3) 163.2(3) 161.4(3)

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