Influence of the Homoatomic and Multicenter Bonding on the Formation of CsCl‐type RhCd

Abstract

The electronic structure and chemical bonding analysis of the recently uncovered CsCl‐type RhCd have been discussed thoroughly in this article. It is observed that a more complex combination of long‐range heteroatomic (Rh‐Cd) and homoatomic (Rh‐Rh and Cd‐Cd) interactions as well as multicenter Rh‐Cd‐Rh interactions influence the formation of CsCl type‐RhCd. On the other hand, the other two structurally closely related phases (Rh2Cd5 and Rh3Cd5−δ) are mostly dominated by the partially covalent Rh‐Cd heteroatomic interactions.