BaCu10P4: A New Structure Composed of Chains of Edge-Shared Cu4 Tetrahedra
dc.contributor.author | Young, Dianna | |
dc.contributor.author | Charlton, John | |
dc.contributor.author | Miller, Gordon | |
dc.contributor.author | Olstead, Marilyn | |
dc.contributor.author | Kauzlarich, Susan | |
dc.contributor.author | Lee, Chi-Shen | |
dc.contributor.author | Miller, Gordon | |
dc.contributor.department | Chemistry | |
dc.date | 2018-02-17T09:37:19.000 | |
dc.date.accessioned | 2020-06-30T01:23:11Z | |
dc.date.available | 2020-06-30T01:23:11Z | |
dc.date.copyright | Wed Jan 01 00:00:00 UTC 1997 | |
dc.date.issued | 1997 | |
dc.description.abstract | <p>A new barium copper phosphide compound, BaCu<sub>10</sub>P<sub>4</sub>, was synthesized by reacting stoichiometric amounts of the elements at 1200 °C for 24 h. BaCu<sub>10</sub>P<sub>4</sub> crystallizes in the monoclinic space group <em>C</em>2<em>/m</em>, with unit cell dimensions <em>a</em> = 23.288(4) <em>b</em> = 3.9070(10), and <em>c</em> = 9.534(2) Å and β = 92.26(2)° (<em>Z</em> = 4). The structure can be described as consisting of chains of edge-shared Cu<sub>4</sub> tetrahedral prisms that are knitted together by P atoms. The structure is related to BaCu<sub>8</sub>P<sub>4</sub>, which can be described in a similar fashion. Temperature-dependent resistivity measurements indicate that BaCu<sub>10</sub>P<sub>4</sub> is a metal. Extended Hückel band calculations are consistent with metallic character for BaCu<sub>10</sub>P<sub>4</sub> through Cu−Cu interactions. Orbitals at the Fermi level show Cu−Cu bonding overlap. On the other hand, BaCu<sub>8</sub>P<sub>4</sub> reveals extremely weak Cu−Cu interactions, but rather optimizes Cu−P bonding.</p> | |
dc.description.comments | <p>Reprinted (adapted) with permission from Inorg. Chem., 1997, 36 (12), pp 2539–2543. Copyright 1997 American Chemical Society.</p> | |
dc.format.mimetype | application/pdf | |
dc.identifier | archive/lib.dr.iastate.edu/chem_pubs/824/ | |
dc.identifier.articleid | 1851 | |
dc.identifier.contextkey | 7967472 | |
dc.identifier.s3bucket | isulib-bepress-aws-west | |
dc.identifier.submissionpath | chem_pubs/824 | |
dc.identifier.uri | https://dr.lib.iastate.edu/handle/20.500.12876/15319 | |
dc.language.iso | en | |
dc.source.bitstream | archive/lib.dr.iastate.edu/chem_pubs/824/0-1997_Miller_NewStructure_License.pdf|||Sat Jan 15 02:08:37 UTC 2022 | |
dc.source.bitstream | archive/lib.dr.iastate.edu/chem_pubs/824/1997_Miller_NewStructure.pdf|||Sat Jan 15 02:08:38 UTC 2022 | |
dc.source.uri | 10.1021/ic961347z | |
dc.subject.disciplines | Materials Chemistry | |
dc.subject.disciplines | Other Chemistry | |
dc.subject.disciplines | Physical Chemistry | |
dc.title | BaCu10P4: A New Structure Composed of Chains of Edge-Shared Cu4 Tetrahedra | |
dc.type | article | |
dc.type.genre | article | |
dspace.entity.type | Publication | |
relation.isAuthorOfPublication | 2ae7cd46-13ac-44c3-af5d-86458fb38962 | |
relation.isOrgUnitOfPublication | 42864f6e-7a3d-4be3-8b5a-0ae3c3830a11 |