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Ivlev, Sergei I.; Soltner, Theresa; Karttunen, Antti J.; Mühlbauer, Martin J.; Kornath, Andreas J.; Kraus, Florian (2017): Syntheses and Crystal Structures of Sodium Hydrogen Fluorides NaF center dot nHF (n=2, 3, 4). In: Zeitschrift für Anorganische und Allgemeine Chemie, Vol. 643, No. 21: pp. 1436-1443
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Abstract

A series of higher sodium hydrogen fluorides were synthesized and structurally characterized. Sodium tetrahydrogen pentafluoride, NaH4F5, crystallizes in space group type I4(1)/a with cell parameters a = 6.0275(4), c = 11.6208(13) angstrom, V = 422.19(7) angstrom(3), Z = 4 at 100 K. Sodium trihydrogen tetrafluoride, NaH3F4, crystallizes in space group type R (3) over bar with cell parameters a = 6.5139(4), c = 13.4040(15) angstrom, V = 492.55(8) angstrom(3), Z = 6 at 100 K. Sodium dihydrogen trifluoride, NaH2F3, crystallizes in space group type Pnma with cell parameters a = 7.9276(9), b = 3.4514(3), c = 9.6937(10) angstrom, V = 265.23(5) angstrom(3), Z = 4 at 100 K. The investigations were complemented by IR spectroscopy and theoretical calculations. NaH2F3 was additionally characterized by means of powder neutron diffraction. All observed F-H center dot center dot center dot F hydrogen bonds are unsymmetric, close to linearity and can be considered as strong hydrogen bonds.