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

Table 9.2 · Thesis 4 · Orayech 2015

Table 9.2 · Thesis 4 · Orayech 2015

status thesis-only · visibility public · id tbl:thesis-04.9.2

Amplitudes of the modes (in \AA) of the irreps taking part in the symmetry breaking from F m \overline{3} m space group to the monoclinic space groups P 2_{1} / n and I 2 / m for \mathrm{Sr}_{2} \mathrm{Co}_{1-x} \mathrm{Mg}_{x} \mathrm{TeO}_{6}(x=0.0,0.1,0.2,0.5) compounds at room-temperature after the refinement of (a) all modes and (b) only the effectively acting mode-amplitudes.

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Thesis 4 · Orayech 2015
Table
9.2
Irrep Amplitude
\mathrm{Sr}_{2} \mathrm{CoTeO}_{6} \mathrm{Sr}_{2} \mathrm{Co}_{0.9} \mathrm{Mg}_{0.1} \mathrm{TeO}_{6} \mathrm{Sr}_{2} \mathrm{Co}_{0.8} \mathrm{Mg}_{0.2} \mathrm{TeO}_{6} \mathrm{Sr}_{2} \mathrm{Co}_{0.5} \mathrm{Mg}_{0.5} \mathrm{TeO}_{6}
P 2_{1} / n-NPD P 2_{1} / n-NPD I2/m-XRPD I2/m-XRPD
(a) (b) (a) (b) (a) (b) (a) (b)
\mathrm{GM}_{1}^{+} 0.1825(4) 0.1840(1) 0.1833(4) 0.1881(4) 0.0622(3) 0.0000 0.1102(3) 0.0000
\mathrm{GM}_{3}^{+} 0.0173(2) 0.0000 0.0007(1) 0.0000 0.0943(1) 0.0000 0.0075(6) 0.0000
\mathrm{GM}_{4}^{+} 0.7941(1) 0.7964(5) 0.7770(1) 0.7814(2) 0.5741(3) 0.6742(3) 0.6174(6) 0.6680(6)
\mathrm{GM}_{5}^{+} 0.0230(1) 0.0000 0.0630(1) 0.0000 0.0765(5) 0.0000 0.0866(5) 0.0000
\mathrm{X}_{2}^{+} 0.0074(5) 0.0000 0.0165(5) 0.0000
\mathrm{X}_{3}^{+} 0.2680(1) 0.2648(6) 0.1737(5) 0.1863(2)
\mathrm{X}_{5}^{+} 0.0032(2) 0.0037(1) 0.0469(5) 0.0263(4)

Evidence