YCa3 (CrO) 3 (BO3) 4: a Cr3+ kagomé lattice compound showing no magnetic order down to 2 K

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dc.contributor.authorWang, CHen_AU
dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorKennedy, BJen_AU
dc.contributor.authorKüpers, Men_AU
dc.contributor.authorLing, CDen_AU
dc.date.accessioned2021-06-28T21:59:43Zen_AU
dc.date.available2021-06-28T21:59:43Zen_AU
dc.date.issued2016-07-13en_AU
dc.date.statistics2021-06-17en_AU
dc.description.abstractWe report a new gaudefroyite-type compound YCa3(CrO)3(BO3)4, in which Cr3+ ions (3d3, S = 3/2) form an undistorted kagomé lattice. Using a flux agent, the synthesis was significantly accelerated with the typical calcining time reduced from more than 2 weeks to 2 d. The structure of YCa3(CrO)3(BO3)4 was determined by combined Rietveld refinements against X-ray and neutron diffraction data. Symmetry distortion refinement starting from a disordered YCa3(MnO)3(BO3)4 model was applied to avoid overparameterization. There are two ordering models, namely, K2–1 and K2–2, with the space groups P63 (No. 173) and P3̅ (No. 147), respectively, that differ in the [BO3] ordering between different channels (in-phase or out-of-phase). Both models give similarly good fits to the diffraction data. YCa3(CrO)3(BO3)4 is an insulator with the major band gap at Eg = 1.65 eV and a second transition at 1.78 eV. Magnetically, YCa3(CrO)3(BO3)4 is dominated by anti-ferromagnetic exchange along edge-sharing CrO6 octahedral chains perpendicular to the kagomé planes, with Θ ≈ −120 K and μeff ≈ 3.92 μB. The compound shows no spin ordering or freezing down to at least 2 K. © 2016 American Chemical Societyen_AU
dc.identifier.citationWang, C.- H., Avdeev, M., Kennedy, B. J., Küpers, M., & Ling, C. D. (2016). YCa3(CrO)3(BO3)4: a Cr3+ kagomé lattice compound showing no magnetic order down to 2 K. Inorganic Chemistry, 55(15), 7535-7541. doi:10.1021/acs.inorgchem.6b00923en_AU
dc.identifier.issn1520-510Xen_AU
dc.identifier.issue15en_AU
dc.identifier.journaltitleInorganic Chemistryen_AU
dc.identifier.pagination7535-7541en_AU
dc.identifier.urihttps://doi.org/10.1021/acs.inorgchem.6b00923en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/10924en_AU
dc.identifier.volume55en_AU
dc.language.isoenen_AU
dc.publisherAmerican Chemical Societyen_AU
dc.subjectMagnetic propertiesen_AU
dc.subjectQuantum mechanicsen_AU
dc.subjectElectric conductivityen_AU
dc.subjectCrystal latticesen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectX-ray diffractionen_AU
dc.subjectAntiferromagnetismen_AU
dc.titleYCa3 (CrO) 3 (BO3) 4: a Cr3+ kagomé lattice compound showing no magnetic order down to 2 Ken_AU
dc.typeJournal Articleen_AU
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