New Insights into the Crystal Chemistry of FeB-Type Compounds: The Case of CeGe

Riccardo Freccero, Emmelina Frick, Caroline Wilthorn, Julia Maria Hübner

Research output: Contribution to journalArticlepeer-review

Abstract

Several alkaline earth or rare earth binary monosilicides and -germanides possess complex bonding properties, such as polycation formation exceeding the scope of classical electron counting rules. In this study, we present characterization by powder and single-crystal diffraction and thermal analysis of CeGe, one of the few monogermanides crystallizing in the FeB-type structure. Comparative computational investigations for structure types experimentally observed for monogermanides and alternative structures with different structural motifs were performed to gain energetical insights into this family of compounds, underlining the preference for infinite germanium chains over other structural motifs. Formation enthalpy calculations and structural chemical analysis highlight the special position of FeB-type compounds among the monogermanides.

Original languageEnglish
Article number9089
JournalMaterials
Volume15
Issue number24
DOIs
Publication statusPublished - 2022 Dec

Subject classification (UKÄ)

  • Inorganic Chemistry

Free keywords

  • chemical bonding
  • crystal chemistry
  • intermetallic compounds
  • X-ray diffraction

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