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The family of LiCo6P4 type compounds - trends in electronic structure and chemical bonding
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | MATAR, Samir F. | |
| hal.structure.identifier | Institut für Anorganische und Analytische Chemie | |
| dc.contributor.author | PÖTTGEN, Rainer | |
| dc.date.issued | 2014 | |
| dc.identifier.issn | 0044-2313 | |
| dc.description.abstractEn | Selected ternary compounds of the family of AT6X4 (LiCo6P4-type) intermetallics were studied by ab initio methods with respect to their electronic structures and chemical bonding. The bonding characteristics highlight the role of the three-dimensional [T6X4] polyanionic networks which, within the hexagonal channels, accommodate loosely bonded A cations. In alkali metal based compounds, when T is replaced by indium (e.g. in KIn6Au4) the reverse occupancy leads to positively charged In (ca. +0.5) and negatively charged Au (ca. -0.9). Peculiar magnetic behavior is traced out whereby a magnetic order is identified only when T is a 3d element, which polarizes and induces a negative small moment on A (U) as in UCr6P4 oppositely to CeRh6X4 for X = Si, Ge. | |
| dc.language.iso | en | |
| dc.publisher | Wiley-VCH Verlag | |
| dc.subject.en | LiCo6P4-type structure | |
| dc.subject.en | Electronic structure | |
| dc.subject.en | Trends in chemical bonding | |
| dc.title.en | The family of LiCo6P4 type compounds - trends in electronic structure and chemical bonding | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1002/zaac.201400123 | |
| dc.subject.hal | Chimie/Matériaux | |
| bordeaux.journal | Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie | |
| bordeaux.page | 1641-1647 | |
| bordeaux.volume | 640 | |
| bordeaux.issue | 8-9 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-01052568 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-01052568v1 | |
| bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Journal%20of%20Inorganic%20and%20General%20Chemistry%20/%20Zeitschrift%20f%C3%BCr%20anorganische%20und%20allgemeine%20Chemie&rft.date=2014&rft.volume=640&rft.issue=8-9&rft.spage=1641-1647&rft.epage=1641-1647&rft.eissn=0044-2313&rft.issn=0044-2313&rft.au=MATAR,%20Samir%20F.&P%C3%96TTGEN,%20Rainer&rft.genre=article |
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