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Article Abstract

The crystal chemistry of americium-containing extended structures was investigated, and several classes of americium-containing solid-state oxide materials were obtained in single-crystal form via high-temperature flux crystal growth. This enabled the structural characterization of rare examples of ternary, quaternary, and penternary americium-containing silicates KAm (SiO) and CsAmSiO, phosphates NaAm (PO) and KAm (PO), borates BaAm(BO) and AmBO, borate halides CaAm(BO)Cl, molybdates LiAmMoO, and fluorides CsAmF. Using these crystallographic data, the ionic radii of Am with coordination numbers of six (0.975 Å), seven (1.052 Å), and nine (1.162 Å) were established. A maximum entropy method (MEM) analysis was performed on the single-crystal X-ray diffraction data that were collected for KNd(PO)/KAm(PO), KNdSiO/KAmSiO, and NdBO/AmBO, to qualitatively compare the ionicities of the Nd-O and Am-O bonds. Raman spectroscopy data were collected on single crystals of KAm(PO) and compared to the calculated Raman spectrum of KAm(PO) obtained from DFT calculations.

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http://dx.doi.org/10.1021/jacs.5c03457DOI Listing

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