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

Table 3 · Faik et al. 2008

Table 3 · Faik et al. 2008

status published · visibility public · id tbl:10.1016-j.jssc.2008.03.029.3


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Faik et al. 2008
Table
3
R \overline{3} m R \overline{3}
a (Å) 5.6060(1) 5.6058(1)
c(\AA) 13.6762(3) 13.6758(3)
\operatorname{Vol}\left(\AA^{3}\right) 372.23(1) 372.19(1)
\mathrm{Sr}_{z} 0.2498(3) 0.2499(3)
\mathrm{O} 1_{x} 0.170(1) 0.128(1)
\mathrm{O} 1_{y} -0.170(1) -0.207(1)
\mathrm{O} 1_{z} 0.584(1) 0.583(1)
B_{\text {iso }}\left(\dot{\mathrm{A}}^{2}\right) \mathrm{Sr} 0.75(5) 0.75(5)
B_{\text {iso }}\left(\AA^{2}\right) \mathrm{Co} / \mathrm{Sb} 0.23(5) 0.26(7)
B_{\text {iso }}\left(\AA^{2}\right) O 2.11(5) 0.88(2)
Occupancy Sb1/Co2(3b) 0.80(1)/0.20(1) 0.80(1)/0.20(1)
Co1/Sb2(3a) 0.80(1)/0.20(1) 0.80(1)/0.20(1)
R_{\mathrm{p}}(\%) 11.8 8.47
R_{\text {Bragg }}(\%) 4.28 1.77
\chi^{2} 1.41 1.15

Evidence