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

Table 9.5 · Thesis 3 · Iturbe 2012

Table 9.5 · Thesis 3 · Iturbe 2012

status thesis-only · visibility public · id tbl:thesis-03.9.5

Crystal structure data and refinement results for \mathrm{SrPrFeRuO}_{6} from NPD (HRPT, PSI) at 1200 K using R \overline{3} c model.

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Thesis 3 · Iturbe 2012
Table
9.5
Reliability factors Lattice parameters Atom Site x y z B_{\text {iso }}\left(\AA^{2}\right) Occ
R_{p}=4.14 \% a=5.5977 (2) \AA Sr/Pr 6a 0.0000 0.0000 0.2500 2.52(4) 0.5/0.5
R_{w p}=5.53 \% c=13.720(1) \AA Fe/Ru 6c 0.0000 0.0000 0.0000 1.02(2) 0.5/0.5
R_{\text {exp }}=3.34 \% \gamma=120^{\circ} O1 18e 0.5424(3) 0.0000 0.2500 3.42(3) 1
R_{\text {Bragg }}=10.1 \% V=372.31(3) \AA^{3}
Irrep K-vector Dir. Iso. subgroup Dim Ampl. (Å)
\mathrm{R}_{4}^{+} (1/2,1/2,1/2) (a,a,a) R \overline{3} c 1 0.571(5)

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