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

Table 7.1 · Thesis 4 · Orayech 2015

Table 7.1 · Thesis 4 · Orayech 2015

status thesis-only · visibility public · id tbl:thesis-04.7.1

Atomic displacement parameters of the forty materials of the \mathrm{Sr}_{2} \mathrm{MM}^{\prime} \mathrm{O}_{6}\left(\mathrm{M}^{\prime}=\mathrm{W}, \mathrm{Mo}, \mathrm{Sb}, \mathrm{Ru}\right. and Te) families.

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Thesis 4 · Orayech 2015
Table
7.1
Compound \mathrm{t}_{\text {exp }} Ord.Deg Data Sr B \mathrm{B}^{\prime} O1 O2 O3
\mathrm{Sr}_{2} \mathrm{SmSbO}_{6} 0,8616 100 XRD 0.61(4) 0.27(3) 0.29(3) 0.88(1) 0.88(1) 0.88(1)
\mathrm{Sr}_{2} \mathrm{LaSbO}_{6} 0,8676 100 XRD 0.85(3) 0.33(2) 0.35(2) 1.08(3) 1.08(3) 1.08(3)
\mathrm{SrCaFeSbO}_{6} 0,8872 94 NDP 0.81(3) 0.56(6) 0.31(1) 0.88(9) 0.88(9) 0.88(9)
\mathrm{Sr}_{2} \mathrm{DySbO}_{6} 0,9132 100 NDP 0.78(2) 0.29(2) 0.34(4) 0.82(7) 0.83(7) 0.81(6)
\mathrm{Sr}_{2} \mathrm{HoSbO}_{6} 0,9157 100 NDP 0.83(2) 0.25(4) 0.39(5) 1.02(6) 0.83(5) 0.79(3)
\mathrm{Sr}_{2} \mathrm{YSbO}_{6} 0,9182 100 NDP 0.63(4) 0.06(3) 0.11(3) 1.10(2) 0.53(1) 0.56(1)
\mathrm{Sr}_{2} \mathrm{InSbO}_{6} 0,9264 100 NDP 0.36(4) 0.18(3) 0.10(3) 0.15(3) 0.51(4) 0.74(3)
\mathrm{Sr}_{2} \mathrm{InSbO}_{6} 0,9295 92 XRD 0.63(1) 0.09(7) 0.66(3 1.66(4) 1.63(6) 1.66(4)
\mathrm{SrLaCuSbO}_{6} 0,9388 100 NDP 0.69(2) 0.61(2) 0.21(3) 1.01(3) 0.87(3) 0.96(2)
\mathrm{SrLaNiSbO}_{6} 0,9430 90 NDP 0.71(2) 0.20(2) 0.20(2) 0.48(1) 0.84(1) 0.46(7)
\mathrm{Sr}_{2} \mathrm{ScSbO}_{6} 0,9627 100 NDP 0.50(3) 0.31(5) 0.28(3) 0.30(3) 0.60(4) 1.00(2)
\mathrm{Sr}_{2} \mathrm{FeSbO}_{6} 0,9871 90 NDP 0.66(2) 0.38(2) 0.38(2) 0.69(1) 0.69(1) 0.69(1)
\mathrm{Sr}_{2} \mathrm{FeSbO}_{6} 0,9872 90 NDP 0.62(2) 0.41(1) 0.41(1) 0.71(1) 0.71(1) 0.71(1)
\mathrm{Sr}_{2} \mathrm{FeSbO}_{6} 0,9884 80 NDP 0.72(2) 0.30(2) 0.30(2) 0.75(2) 0.75(2) 0.75(2)
\mathrm{Sr}_{2} \mathrm{CaWO}_{6} 0,8943 100 XRD 0.67(1) 0.41(1) 0.21(4) 3.00(4) 3.00(4) 3.00(4)
\mathrm{Sr}_{2} \mathrm{CaWO}_{6} 0,9026 100 XRD 0.46(3) 0.12(6) 0.10(2) 0.30(1) 0.30(1) 0.30(1)
\mathrm{Sr}_{2} \mathrm{CdWO}_{6} 0,9047 100 XRD 0.90(1) 0.70(1) 0.5(1) 2.70(1) 2.70(1) 2.70(1)
\mathrm{Sr}_{2} \mathrm{MnWO}_{6} 0,9502 100 NPD 0.76(5) 0.35(1) 0.20(1) 0.85(1) 0.96(12) 0.92(1)
\mathrm{Sr}_{2} \mathrm{MnWO}_{6} 0,9513 100 XRD 0.22(3) 0.27(4) 0.13(2) 0.82(1) 0.82(1) 0.82(1)
\mathrm{Sr}_{2} \mathrm{FeWO}_{6} 0,9609 100 NPD 0.63(4) 0.22(7) 0.34(9) 0.80(1) 0.69(1) 0.76(1)
\mathrm{Sr}_{2} \mathrm{FeWO}_{6} 0,9624 100 NPD 0.87(3) 0.36(8) 0.60(2) 0.97(1) 1.00(2) 1.10(1)
\mathrm{Sr}_{2} \mathrm{ZnWO}_{6} 0,9642 100 NPD 0.68(2) 0.46(4) 0.24(4) 0.63(1) 1.34(2) 0.71(1)
\mathrm{Sr}_{2} \mathrm{CoWO}_{6} 0,9769 100 HRNPD 0.55(5) 0.12(27) 0.67(1) 0.52(1) 0.95(2) 0.84(1)
\mathrm{Sr}_{2} \mathrm{CaMoO}_{6} 0,9042 100 D2b 0.96(3) 0.75(5) 0.42(3) 1.03(33) 0.95(3) 0.93(3)
\mathrm{Sr}_{2} \mathrm{ErMoO}_{6} 0,9193 100 D2b 0.86(3) 0.45(2) 0.45(2) 1.23(8) 0.79(6) 0.84(7)
\mathrm{Sr}_{2} \mathrm{MnMoO}_{6} 0,9525 100 D2b 0.94(4) 1.16(1) 0.51(5) 0.43(7) 0.97(8) 1.03(8)
\mathrm{Sr}_{2} \mathrm{MnMoO}_{6} 0,9527 100 D2b 1.10(1) 1.24(1) 0.51(1) 0.64(1) 1.08(1) 0.94(1)
\mathrm{Sr}_{2} \mathrm{HoRuO}_{6} 0,9158 100 NPD 0.30(3) 0.20(9) 0.38(1) 0.35(1) 0.42(1) 0.27(7)
\mathrm{Sr}_{2} \mathrm{TbRuO}_{6} 0,9166 100 NPD 0.41(3) 0.54(4) 0.10(3) 0.68(3) 0.66(4) 0.76(5)
\mathrm{Sr}_{2} \mathrm{TbRuO}_{6} 0,9166 100 NPD 0.80(1) 0.30(1) 0.30(1) 0.50(1) 0.80(1) 0.90(1)
\mathrm{Sr}_{2} \mathrm{ErRuO}_{6} 0,9212 100 NPD 0.10(3) 0.10(3) 0.10(3) 0.10(3) 0.10(3) 0.10(3)
\mathrm{Sr}_{2} \mathrm{HoRuO}_{6} 0,9229 100 NPD 0.79(4) 0.13(5) 0.48(6) 0.92(9) 0.74(8) 0.83(7)
\mathrm{Sr}_{2} \mathrm{HoRuO}_{6} 0,9229 100 NPD 0.79(4) 0.13(5) 0.48(6) 0.92(9) 0.74(8) 0.83(7)
\mathrm{Sr}_{2} \mathrm{YRuO}_{6} 0,9236 100 NPD 0.52(2) 0.34(3) 0.44(4) 0.65(2) 0.65(2) 0.65(2)
\mathrm{Sr}_{2} \mathrm{ErRuO}_{6} 0,9252 100 NPD 0.73(3) 0.50(4) 0.48(5) 0.84(8) 0.84(8) 0.84(8)
\mathrm{Sr}_{2} \mathrm{YbRuO}_{6} 0,9255 100 NPD 0.33(2) 0.11(3) 0.10(4) 0.43(6) 0.37(5) 0.31(5)
\mathrm{Sr}_{2} \mathrm{TmRuO}_{6} 0,9286 100 NPD 0.74(3) 0.47(4) 0.20(4) 0.78(7) 0.96(8) 0.64(4)
\mathrm{Sr}_{2} \mathrm{LuRuO}_{6} 0,9330 100 NPD 0.36(3) 0.21(8) 0.27(8) 0.93(9) 0.25(8) 0.29(8)
\mathrm{Sr}_{2} \mathrm{CaTeO}_{6} 0,9142 100 NPD 0.94(2) 0.63(5) 0.39(4) 0.94(4) 0.94(3) 0.86(3)
\mathrm{Sr}_{2} \mathrm{CoTeO}_{6} 0,9758 100 NPD 1.01(4) 0.20(2) 0.80(1) 1.03(6) 1.10(1) 0.90(1)

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