Koala, a versatile single-crystal diffractometer

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dc.contributor.authorPiltz, ROen_AU
dc.date.accessioned2023-05-05T03:11:50Zen_AU
dc.date.available2023-05-05T03:11:50Zen_AU
dc.date.issued2020-11-11en_AU
dc.date.statistics2023-05-02en_AU
dc.description.abstractKOALA is a versatile diffractometer for neutron single-crystal diffraction studies on a wide range of applications in chemistry, materials science and physics. Of the many user experiments published from KOALA data, we present two case studies related to materials science and physics. The S=½ helical-honeycomb antiferromagnet α-Cu2V2O7 shows a broad peak in its magnetic susceptibility ~50 K followed by an abrupt increase below 33 K, indicative of a phase transition to a magnetically ordered state. Neutron diffraction reveals that S=½ Cu2+ spins are antiferromagnetically aligning with an ordered moment of 0.93(9) μB, predominantly along the crystallographic a axis. The photovoltaic materials MAPbX3 (MA = CH3NH3; X = Cl, Br, I) are widely studied due to their high conversion efficiencies. NMR spectra indicates dynamic reorientation of the MA ion, suggesting tumbling within the perovskite cage with only the amine end of the group interacting with the inorganic network. Single-crystal neutron diffraction was used to refinement all three structures for comparison. In each case, the MA group is disordered and surrounded by halogen ions with anisotropic displacement ellipsoids. However, for the Br and Cl structures small anomalies were observed in the probability density of the lead ions, possibly indicating a ferroelectric-like behaviour or a subtle difference in symmetry. © The author.en_AU
dc.identifier.citationPiltz, R. O. (2020). Koala, a versatile single-crystal diffractometer. Paper presented to the ANBUG-AINSE Neutron Scattering Symposium, AANSS 2020, Virtual Meeting, 11th - 13th November 2020, (pp. 104). Retrieved from: https://events01.synchrotron.org.au/event/125/attachments/725/1149/AANSS_Abstract_Booklet_Complete_-_1_Page_Reduced.pdfen_AU
dc.identifier.conferenceenddate13 November 2020en_AU
dc.identifier.conferencenameANBUG-AINSE Neutron Scattering Symposium, AANSS 2020en_AU
dc.identifier.conferenceplaceVirtual Meetingen_AU
dc.identifier.conferencestartdate11 November 2020en_AU
dc.identifier.pagination104en_AU
dc.identifier.urihttps://events01.synchrotron.org.au/event/125/attachments/725/1149/AANSS_Abstract_Booklet_Complete_-_1_Page_Reduced.pdfen_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/15017en_AU
dc.language.isoenen_AU
dc.publisherAustralian Institute of Nuclear Science and Engineering (AINSE)en_AU
dc.subjectDiffractometersen_AU
dc.subjectMonocrystalsen_AU
dc.subjectANSTOen_AU
dc.subjectAustraliaen_AU
dc.subjectHalogensen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectMagnetic susceptibilityen_AU
dc.subjectIonsen_AU
dc.titleKoala, a versatile single-crystal diffractometeren_AU
dc.typeConference Abstracten_AU
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