Charge transfer on the metallic atom-pair bond, and the crystal structures adopted by intermetallic compounds

Rajasekharan, T.; Seshubai, V.

doi:10.1107/S0108767311044151

Acta Crystallographica Section A
Acta Crystallographica
Section A FOUNDATIONS AND ADVANCES

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Figure 2
The RG lines of MgCu₂, AsNa₃ and SiCr₃ crystal-structure types. The binary systems in which compounds of these crystal structures occur are plotted on a ( $[\Delta\varphi]$ , $[\Delta{N}^{1/3}]$ ) map. $[\Delta\varphi]$ = $[({\varphi}_{A}]$ − $[{\varphi}_{B})]$ and $[\Delta{N}^{1/3}]$ = (N_A^1/3 − N_B^1/3), where A is the minority element. Binary systems with compounds belonging to each structure type fall on a straight line on the map. From the overlap and lack of overlap between the lines, one can predict concomitant and mutually exclusive structure types in binary systems (Rajasekharan & Seshubai, 2010a

). Most of the compounds of the MgCu₂-type crystal structure have negative $[\Delta\varphi]$ , and most of the compounds with SiCr₃ and AsNa₃-type structures have positive $[\Delta\varphi]$ .

FOUNDATIONS
ADVANCES

ISSN: 2053-2733

Volume 68| Part 1| November 2012| Pages 156-165

doi:10.1107/S0108767311044151

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