Structural changes within and between the two isotypic series ABiO2 (A = Na, K, Rb, Cs) and ASbO2 (A = K, Rb, Cs)
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Egbert Keller
Abstract
Structural changes within the isotypic series ABiO2 (A = Na, K, Rb, Cs) and ASbO2 (A = K, Rb, Cs) and between corresponding members of the two series are analyzed after re-determination of the structure of NaBiO2. Despite the low valence of A—O bonds as compared to E—O bonds (E = Sb, Bi), the A atoms of different sizes are largely able to satisfy their individual spatial requirements. Small deviations between expected and experimentally determined Na/K size differences in the ABiO2 series are explained by a change in the bonding scheme in the transition from NaBiO2 to KBiO2. The results of DFT calculations show that the unexpected increase of the lattice parameters b in the three transitions ABiO2 → ASbO2 is not caused – as assumed before – by the different stereochemical activities of the Sb and Bi lone electron pairs. Instead, this increase is caused by cation-cation repulsions owing to the observed decrease in c.
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Artikel in diesem Heft
- Structural changes within and between the two isotypic series ABiO2 (A = Na, K, Rb, Cs) and ASbO2 (A = K, Rb, Cs)
- Al/Si and Ca/Eu short range order in Ca/Eu-bicchulite, studied by FTIR spectroscopy
- New thallium diphosphates Tl2Me(H2P2O7)2 · 2 H2O, Me = Mg, Mn, Co, Ni and Zn. Synthesis, single crystal X-ray structures and powder X-ray structure of the Mg phase
- Crystal structure of MCM-71 – a new zeolite in the mordenite group
- Monoclinic FeO at high pressures
- The crystal structure of “bis(trimethyltin)-1,3,4-thiadiazole-2,5-dithiolate” – different bonding of the two trimethyltin groups
- Crystal and molecular structures of three 2-substituted 4-methyloxan-4-ol derivatives studied by X-ray crystallography and by PM6 calculations
- A comparative study of crystal structure of a Cu(II) dicyanamide compound determined independently from X-ray powder- and single-crystal analyses
