Synthesis and structural characterization of the hexagonal anti-perovskite Na2CaVO4F
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Date
2017-06-01
Journal Title
Journal ISSN
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Publisher
Elsevier
Abstract
The structural details of the ordered hexagonal oxyfluoride Na2CaVO4F prepared by solid-state synthesis using stoichiometric amounts of V2O5, CaCO3, Na2CO3 and NaF were characterized using high-resolution neutron powder diffraction. The structural changes between 25 °C and 750 °C revealed that the two structural subunits in this material behave different when heated: there is an expansion of the face-shared FNa4Ca2 octahedra while the VO4 tetrahedra due to increased thermal disorder reveal marginal bond contractions. Bond valences and the global instability index point to significant structural disorder at 750 °C. © 2017 Elsevier Inc.
Description
Keywords
Neutron diffraction, Stoichiometry, Temperature range 0400-1000 K, Ambient temperature, Thermal expansion, Oxyfluorides
Citation
Green, R. L., Avdeev, M., & Vogt, T. (2017). Synthesis and structural characterization of the hexagonal anti-perovskite Na2CaVO4F. Journal of Solid State Chemistry, 250, 134-139. doi:10.1016/j.jssc.2017.03.027