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Preparation and Single-Crystal Structure Analysis of Ca2NF

✍ Scribed by R.A. Nicklow; T.R. Wagner; C.C. Raymond

Publisher: Elsevier Science
Year: 2001
Tongue: English
Weight: 333 KB
Volume: 160
Category: Article
ISSN: 0022-4596
DOI: 10.1006/jssc.2001.9205

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✦ Synopsis

Single-crystalline samples of Ca 2 NF were prepared by heating a stoichiometric mixture of Ca metal and CaF 2 under N 2 to 10003 3C, followed by slow cooling from the melt. The resulting Ca 2 NF crystals were yellow in color, and highly air-sensitive. A single-crystal X-ray di4raction analysis indicated that the compound is isostructural with L-Mg 2 NF, with tetragonal cell parameters a ‫؍‬ 4.9018(9) A s and c ‫؍‬ 10.516(3) A s , Z ‫؍‬ 4, and space group I4 1 /amd (No. 141). X-ray re5nement was carried out by full-matrix least-squares on F 2 on all data, to give R 1 ‫؍‬ 0.0426 (all data) and wR 2 ‫؍‬ 0.0630 for 12 parameters and 101 independent re6ections. The 5nal position assignments were analyzed via bond valence sum calculations.

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