Journal
STRUCTURAL CHEMISTRY
Volume 27, Issue 6, Pages 1635-1639Publisher
SPRINGER/PLENUM PUBLISHERS
DOI: 10.1007/s11224-016-0778-x
Keywords
Calcium carbides; Structures; High-pressure; Zintl-Klemm Concept; Crystal chemistry
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The structures of Ca2C and CaC, recently predicted from evolutionary algorithms to be stable at very high pressures, are rationalized on the basis of the structural transitions undergone by calcium under pressure as well as in the light of the Extended Zintl-Klemm Concept that serve as a guide to explain the structures.
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