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• W2735781699 abstract "Abstract Ordered rocksalt-type Ca 2 NF has a cubic unit cell that is doubled along [100] relative to the rocksalt-type polymorph due to N/F ordering. Crystals for the present study were prepared from a pure, dry KCuF 3 precursor by reaction with Ca metal under nitrogen, and analyzed via high resolution single crystal X-ray diffraction. From this analysis, as well as qualitative compositional analysis using energy dispersive spectroscopy, it was determined that interstitial fluoride ions previously interpreted as Frenkel defects are actually due to a non-stoichiometric defect. The refined composition is Ca 2 N 0.925 F 1.23 , and the ordered cubic phase has space group Fd 3 ¯ m (No. 227) with a = 10.0301(5) A and Z = 16." @default.
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• W2735781699 date "2017-10-01" @default.
• W2735781699 modified "2023-09-23" @default.
• W2735781699 title "Crystal chemistry of ordered rocksalt-type Ca2NF" @default.
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• W2735781699 doi "https://doi.org/10.1016/j.jssc.2017.07.017" @default.
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