We have performed cluster calculations in a study of the bonding nature in the CeO 2 crystal using the relativistic discrete-variational X a method. The electron charge distribution of CeO 2 is compared with those of ZrO 2 and CaF 2. The charge density in the metal atomic region indicates stronger c
Covalent bonds in ionic crystals
β Scribed by G.D. Mahan
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 212 KB
- Volume
- 76
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Rccclred 23 Jul> 1980 4n eon at a tetrahedral srte \rti develop an mduccd octupole moment, whtch IS equrralent to CI cowlent bond The mag nrrude of the bond 1s calculated for 4~1 and tie copper hnhdes. and rcmores o discrepancy bcrween three and c\periment whwh has stood for 17 )ears.
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## Abstract The most polar bond in chemistry is that between a fluorine and an alkalimetal atom. Inspired by our recent finding that other polar bonds (Cο£ΏM and Hο£ΏM) have important covalent contributions (i.e., stabilization due to bond overlap), we herein address the question if covalency is also e