Analysis of chemical bonding in Zn3P2 crystals from X-ray diffraction data

Autor: I. E. Zanin, K. B. Aleinikova, M. Yu. Antipin, M. M. Afanas’ev
Rok vydání: 2004
Předmět:
Zdroj: Crystallography Reports. 49:579-584
ISSN: 1562-689X
1063-7745
DOI: 10.1134/1.1780620
Popis: The refined data on the crystal structure of Zn3P2 (I) provide evidence for a tetrahedral coordination of metal atoms, which is characteristic of covalent structures with sp3-hybridized orbitals. Deformation-electron-density maps for crystal I, which were constructed from high-precision X-ray diffraction data, confirm the predominantly covalent character of bonds in this compound. The deformation-density maps clearly show covalent bridges with their peaks shifted toward electronegative phosphorus atoms. The longer the bond, the larger the shift. The presence of delocalized electrons indicates that the bonding mechanism is partially metallic.
Databáze: OpenAIRE