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

Table 4.5 · Thesis 4 · Orayech 2015

Table 4.5 · Thesis 4 · Orayech 2015

status thesis-only · visibility public · id tbl:thesis-04.4.5

lists the number of basis symmetry modes and their irreps, that describe the

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Thesis 4 · Orayech 2015
Table
4.5
Atoms WP Modes
O1 3c \mathrm{GM}_{4}^{-}(2) \mathrm{GM}_{5}^{-}(1 )
Nb1 1 b \mathrm{GM}_{4}^{-}(1)
Na1/K1 1a \mathrm{GM}_{4}^{-}(1)
K-vector Irrep Direction Isotropy subgroup Dimension Amplitude (Å)
(0,0,0) \mathrm{GM}_{4}^{-} (a,a,0) Amm2 (ITA 38) 4 0.383(5)
(0,0,0) \mathrm{GM}_{5}^{-} (0,a,-a) Amm2 (ITA 38) 1 0.010(5)
Global distortion: 0.3832 \AA

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