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Octahedral tilting in the polar hexagonal tungsten bronzes RbNbW2O9 and KNbW2O9
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dc.contributor.author | McNulty, Jason A. | |
dc.contributor.author | Gibbs, Alexandra | |
dc.contributor.author | Lightfoot, Philip | |
dc.contributor.author | Morrison, Finlay D. | |
dc.date.accessioned | 2019-09-27T15:30:03Z | |
dc.date.available | 2019-09-27T15:30:03Z | |
dc.date.issued | 2019-10 | |
dc.identifier | 260900032 | |
dc.identifier | 832c5bc8-8171-42f5-9f79-e022089e8e1a | |
dc.identifier | 85074337971 | |
dc.identifier | 000492842900006 | |
dc.identifier.citation | McNulty , J A , Gibbs , A , Lightfoot , P & Morrison , F D 2019 , ' Octahedral tilting in the polar hexagonal tungsten bronzes RbNbW 2 O 9 and KNbW 2 O 9 ' , Acta Crystallographica. Section B, Structural Science , vol. 75 , no. Part 5 , B75 . https://doi.org/10.1107/S2052520619009260 | en |
dc.identifier.issn | 0108-7681 | |
dc.identifier.other | ORCID: /0000-0001-7048-3982/work/61978767 | |
dc.identifier.other | ORCID: /0000-0002-2813-3142/work/61978795 | |
dc.identifier.uri | https://hdl.handle.net/10023/18571 | |
dc.description | We thank the Science and Technology Facilities Council (STFC) for the provision of neutron diffraction facilities at ISIS (HRPD experiment RB1710021, doi: 10.5286/ISIS.E.RB1710021) and the School of Chemistry, University of St Andrews for funding of a studentship to JAM through the EPSRC doctoral training grant (EP/K503162/1). | en |
dc.description.abstract | The ambient temperature structures (orthorhombic, space group, Cmc21) of the polar hexagonal tungsten bronzes RbNbW2O9 and KNbW2O9 have been determined by high-resolution powder neutron diffraction. Displacement of the A-site cation in the polar c-axis, with concomitant octahedral tilting, occurs to optimise the A-cation bonding environment reducing the coordination from 18 to 16. This effect is more evident in KNbW2O9 due to decreased A-cation size. The octahedral tilting in both compositions results in a doubling of the c-axis that has not previously been reported, highlighting the importance of neutron diffraction as a complementary technique for structural determination of such systems. | |
dc.format.extent | 7 | |
dc.format.extent | 835066 | |
dc.language.iso | eng | |
dc.relation.ispartof | Acta Crystallographica. Section B, Structural Science | en |
dc.subject | Octahedral tilting | en |
dc.subject | Polar bears | en |
dc.subject | Hexagonal tungsten bronzes | en |
dc.subject | Powder neutron diffraction | en |
dc.subject | Symmetry mode analysis. | en |
dc.subject | QD Chemistry | en |
dc.subject | DAS | en |
dc.subject.lcc | QD | en |
dc.title | Octahedral tilting in the polar hexagonal tungsten bronzes RbNbW2O9 and KNbW2O9 | en |
dc.type | Journal article | en |
dc.contributor.sponsor | EPSRC | en |
dc.contributor.institution | University of St Andrews. School of Chemistry | en |
dc.contributor.institution | University of St Andrews. EaSTCHEM | en |
dc.identifier.doi | https://doi.org/10.1107/S2052520619009260 | |
dc.description.status | Peer reviewed | en |
dc.identifier.grantnumber | EP/P024637/1 | en |
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