X-ray and neutron diffraction studies of flux and hydrothermally grown nonlinear optical material KBe2BO3F2

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dc.contributor.authorSang, YHen_AU
dc.contributor.authorYu, DHen_AU
dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorPiltz, ROen_AU
dc.contributor.authorSharma, Nen_AU
dc.contributor.authorYe, Nen_AU
dc.contributor.authorLiu, Hen_AU
dc.contributor.authorWang, JYen_AU
dc.date.accessioned2014-04-22T23:00:17Zen_AU
dc.date.available2014-04-22T23:00:17Zen_AU
dc.date.issued2012-01-01en_AU
dc.date.statistics2014-04-23en_AU
dc.description.abstractDeep-UV nonlinear optical material KBe2BO3F2 (KBBF), fabricated by flux and hydrothermal methods, are studied by single crystal and powder X-ray diffraction (XRD) and neutron diffraction (NPD). Based on the single crystal diffraction data, the standard R32 structure is confirmed for flux grown KBBF, while the R $(3) over bar $c structure is identified for the hydrothermally grown KBBF. No clear evidence of hydrogen bonding is found in the crystals by single crystal neutron diffraction. From powder XRD and neutron diffraction, the hydrothermally grown KBBF under investigation is found to be a mixture of two components consisting of 19.8 wt% of the R32 structure and 80.2 wt% of the R $(3) over bar $c structure. No phase changes as a function of temperature up to 775 degrees C are observed for both samples from temperature dependent powder XRD data. However, a large anisotropic thermal expansion of the lattice is shown in the temperature dependent data. © 2012, Royal Society of Chemistry.en_AU
dc.identifier.citationSang, Y. H, Yu, D. H., Avdeev, M., Piltz, R., Sharma, N., Ye, N., Liu, H., & Wang, J. Y. (2012). X-ray and neutron diffraction studies of flux and hydrothermally grown nonlinear optical material KBe2BO3F2. CrystEngComm, 14(18), 6079-6084. doi:10.1039/c2ce25828een_AU
dc.identifier.govdoc4618en_AU
dc.identifier.issn1466-8033en_AU
dc.identifier.issue18en_AU
dc.identifier.journaltitleCrystEngCommen_AU
dc.identifier.pagination6079-6084en_AU
dc.identifier.urihttp://dx.doi.org/10.1039/c2ce25828een_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/5468en_AU
dc.identifier.volume14en_AU
dc.language.isoenen_AU
dc.publisherRoyal Society of Chemistryen_AU
dc.subjectCrystalsen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectNeutronsen_AU
dc.subjectX-ray diffractionen_AU
dc.subjectHydrogenen_AU
dc.subjectBondingen_AU
dc.titleX-ray and neutron diffraction studies of flux and hydrothermally grown nonlinear optical material KBe2BO3F2en_AU
dc.typeJournal Articleen_AU
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