New Insights into the Crystal Chemistry of FeB-Type Compounds : The Case of CeGe
(2022) In Materials 15(24).- 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... (More)
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.
(Less)
- author
- Freccero, Riccardo ; Frick, Emmelina ; Wilthorn, Caroline and Hübner, Julia Maria LU
- organization
- publishing date
- 2022-12
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- chemical bonding, crystal chemistry, intermetallic compounds, X-ray diffraction
- in
- Materials
- volume
- 15
- issue
- 24
- article number
- 9089
- publisher
- MDPI AG
- external identifiers
-
- scopus:85144828883
- pmid:36556896
- ISSN
- 1996-1944
- DOI
- 10.3390/ma15249089
- language
- English
- LU publication?
- yes
- id
- 4a7ea736-8259-42b9-b96d-3aea59e0e4bb
- date added to LUP
- 2023-01-05 11:42:08
- date last changed
- 2025-06-28 11:25:07
@article{4a7ea736-8259-42b9-b96d-3aea59e0e4bb,
abstract = {{<p>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.</p>}},
author = {{Freccero, Riccardo and Frick, Emmelina and Wilthorn, Caroline and Hübner, Julia Maria}},
issn = {{1996-1944}},
keywords = {{chemical bonding; crystal chemistry; intermetallic compounds; X-ray diffraction}},
language = {{eng}},
number = {{24}},
publisher = {{MDPI AG}},
series = {{Materials}},
title = {{New Insights into the Crystal Chemistry of FeB-Type Compounds : The Case of CeGe}},
url = {{http://dx.doi.org/10.3390/ma15249089}},
doi = {{10.3390/ma15249089}},
volume = {{15}},
year = {{2022}},
}