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Campo DC | Valor | Lengua/Idioma |
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dc.contributor.author | Vegas, Ángel | - |
dc.contributor.author | Martin, Raymond L. | - |
dc.contributor.author | Bevan, D. J. M. | - |
dc.date.accessioned | 2009-02-24T16:46:56Z | - |
dc.date.available | 2009-02-24T16:46:56Z | - |
dc.date.issued | 2009-02 | - |
dc.identifier.citation | Acta Crystallographica B Structural Science 65(1): 11-21 (2009) | en_US |
dc.identifier.issn | 0108-7681 | - |
dc.identifier.uri | http://hdl.handle.net/10261/10956 | - |
dc.description | 12 pages, 9 figures. | en_US |
dc.description.abstract | The bixbyite structure (Mn2O3)(Ia3) is often described as a distorted face-centered cubic (f.c.c.) array of Mn atoms, with O atoms occupying 3/4 of the tetrahedral holes. The empty M4 tetrahedra are centred at 16c. In anti-bixbyite structures (Mg3N2), cation vacancies are centred in empty N4 tetrahedra. If 16 hypothetical atoms were located at this site they would form the structure of γ-Si. This means that anti-bixbyite structures are ideally prepared to accommodate Si(Ge) atoms at these holes. Several compounds (Li3AlN2 and Li3ScN2) fully satisfy this expectation. They are really anti-bixbyites 'stuffed' with Al(Sc). The presence of these atoms in 16c is illuminated in the light of the extended Zintl-Klemm concept (EZKC) [Vegas & García-Baonza (2007). Acta Cryst. B63, 339-345], from which a compound would be the result of 'multiple resonance' pseudo-structures, emerging from electron transfers between any species pair (like or unlike atoms, cations or anions). The coordination-defect (CD) concept [Bevan & Martin (2008). J. Solid State Chem. 181, 2250-2259] is also consistent with the EZKC description of the pseudo-structures. A more profound insight into crystal structures is gained if one is not restricted to the contemplation of classical anions and cations in their conventional oxidation states. | en_US |
dc.description.sponsorship | One of us (AV) acknowledges financial support of both the D.G.I. (Spain) under project MAT2004-05867-C03-02 and the Fundación Domingo Martínez (Valladolid, Spain). | en_US |
dc.format.extent | 1753637 bytes | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | en_US |
dc.publisher | Wiley-Blackwell | en_US |
dc.rights | openAccess | en_US |
dc.subject | Zintl-Klemm concept | en_US |
dc.subject | Coordination-defect concept | en_US |
dc.subject | Multiple resonance structure | en_US |
dc.subject | Electron transfer | en_US |
dc.title | Compounds with a 'stuffed' anti-bixbyite-type structure, analysed in terms of the Zintl-Klemm and coordination-defect concepts | en_US |
dc.type | artículo | en_US |
dc.identifier.doi | 10.1107/S010876810803423X | - |
dc.description.peerreviewed | Peer reviewed | en_US |
dc.relation.publisherversion | http://dx.doi.org/10.1107/S010876810803423X | en_US |
dc.identifier.pmid | 19155554 | - |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.openairetype | artículo | - |
item.cerifentitytype | Publications | - |
item.languageiso639-1 | en | - |
item.grantfulltext | open | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.fulltext | With Fulltext | - |
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