On the optimization of bond-valence parameters: artifacts conceal chemical effects.
We recently proposed that calculated bond-valence sums, BVS, represent a non-integer structural valence, 'structV', rather than the integer-value stoichiometric valence, stoichV. Therefore, the usual attempts to 'optimize' bond-valence parameters r0 and b by adjusting them to stoichV are based on the false assumption that numerical values of structV and stoichV are always equal. Bond-valence calculations for several compounds with stereoactive cations SnII, SbIIIand BiIII reveal the balanced distribution of the bonding power structV between atoms of each structure.
Wang
Xiqu
X
Department of Chemistry, University of Houston, Houston, TX 77204, USA. xiqu.wang@mail.uh.edu
Liebau
Friedrich
F