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DOE OSTI · 1199904

Materials Data on GaH4NF4 by Materials Project

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Abstract

GaF4NH4 crystallizes in the tetragonal I4/mcm space group. The structure is two-dimensional and consists of four ammonium molecules and two GaF4 sheets oriented in the (0, 0, 1) direction. In each GaF4 sheet, Ga3+ is bonded to six F1- atoms to form corner-sharing GaF6 octahedra. The corner-sharing octahedral tilt angles are 27°. There is two shorter (1.87 Å) and four longer (1.95 Å) Ga–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ga3+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Ga3+ atom.

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36 MATERIALS SCIENCEcrystal structureF-Ga-H-NGaH4NF4

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2020-07-15. Materials Data on GaH4NF4 by Materials Project. https://doi.org/10.17188/1199904

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