The crystal structure of methane B at 8 GPa—an α-Mn arrangement of molecules

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dc.contributor.authorMaynard-Casely, HEen_AU
dc.contributor.authorLundegaard, LFen_AU
dc.contributor.authorLoa, Ien_AU
dc.contributor.authorMcMahon, MIen_AU
dc.contributor.authorGregoryanz, Een_AU
dc.contributor.authorNelmes, RJen_AU
dc.contributor.authorLoveday, JSen_AU
dc.date.accessioned2016-09-30T01:31:14Zen_AU
dc.date.available2016-09-30T01:31:14Zen_AU
dc.date.issued2014-12-18en_AU
dc.date.statistics2016-09-30en_AU
dc.description.abstractFrom a combination of powder and single-crystal synchrotron x-ray diffraction data we have determined the carbon substructure of phase B of methane at a pressure of ∼8 GPa. We find this substructure to be cubic with space group I4 ¯ 3m I4¯3m and 58 molecules in the unit cell. The unit cell has a lattice parameter a = 11.911(1) Å at 8.3(2) GPa, which is a factor of √2 larger than had previously been proposed by Umemoto et al. [J. Phys.: Condens. Matter14, 10675 (2002)]. The substructure as now solved is not related to any close-packed arrangement, contrary to previous proposals. Surprisingly, the arrangement of the carbon atoms is isostructural with that of α-manganese at ambient conditions. © 2014, AIP Publishing LLC.en_AU
dc.identifier.articlenumber234313en_AU
dc.identifier.citationMaynard-Casely, H. E., Lundegaard, L. F., Loa, I., McMahon, M. I., Gregoryanz, E., Nelmes, R. J., & Loveday, J. S. (2014). The crystal structure of methane B at 8 GPa—an α-Mn arrangement of molecules. The Journal of Chemical Physics, 141(23), 234313. doi: doi:10.1063/1.4903813en_AU
dc.identifier.govdoc7204en_AU
dc.identifier.issn1089-7690en_AU
dc.identifier.issue23en_AU
dc.identifier.journaltitleThe Journal of Chemical Physicsen_AU
dc.identifier.urihttp://dx.doi.org/10.1063/1.4903813en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/7621en_AU
dc.identifier.volume141en_AU
dc.language.isoenen_AU
dc.publisherAIP Scitationen_AU
dc.subjectX-ray diffractionen_AU
dc.subjectSynchrotronsen_AU
dc.subjectDataen_AU
dc.subjectMoleculesen_AU
dc.subjectCarbonen_AU
dc.subjectAtomsen_AU
dc.titleThe crystal structure of methane B at 8 GPa—an α-Mn arrangement of moleculesen_AU
dc.typeJournal Articleen_AU
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