Abstract
The electronic structures of the 10-electron series of binary MX compounds MnAl-CrSi-VP-TiS have been investigated using an extended Huckel calculational approach. The results, particularly the variations of overlap population in the different bonds, help provide an understanding of the changes in atomization enthalpy and crystal structure across the series. The calculations show a change in the manner in which the p-block element uses its s-electrons in bonding, and this change correlates with a change in preferred crystal structue
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