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

Table 5 · Faik et al. 2012

Table 5 · Faik et al. 2012

status published · visibility public · id tbl:10.1016-j.jssc.2012.04.019.5


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Faik et al. 2012
Table
5
Temp. space group Agreement factors Lattice parameters Atom Site x y z \mathrm{B}\left(\AA^{2}\right)
430 \mathrm{~K}(I 2 / \mathrm{m}) a=5.7021(1) \AA Sr 4 i 0.4993(2) 0 0.2521(5) 0.69(3)
R_{\mathrm{p}}=4.84 \% b=5.6861(1) \AA Sb 2 d 0 0 1/2 0.44(1)
R_{\mathrm{wp}}=6.22 \% c=8.0293(1) \AA Sc 2 a 0 0 0 0.45(3)
\chi^{2}=1.89 \beta=90.04(1)^{\circ} \mathrm{O}_{1} 4 i -0.0484(8) 0 0.2439(9) 0.81(7)
R_{\text {Bragg }}=3.18 V=260.33(1) \AA^{3} \mathrm{O}_{2} 8 j 0.2429(5) 0.2441(9) 0.0253(4) 0.90(6)
613 \mathrm{~K}(14 / m) a=5.6929(1) \AA Sr 4d 0 1/2 1/4 1.04(4)
R_{\mathrm{p}}=5.65 \% c=8.0641(1) \AA Sb 2a 0 0 1/2 0.51(4)
R_{\mathrm{wp}}=7.53 \% V=261.35(1) \AA^{3} Sc 2 b 0 0 0 0.79(7)
\chi^{2}=2.83 \mathrm{O}_{1} 4 e 0 0 0.2455(5) 1.30(6)
R_{\text {Bragg }}=4.54 \mathrm{O}_{2} 8 h 0.2770(4) 0.2125(4) 0 0.89(9)

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