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DOE OSTI · 1754090

Materials Data on Hf2SN2 by Materials Project

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Abstract

Hf2N2S is Hausmannite-derived structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Hf4+ is bonded to four equivalent N3- and two equivalent S2- atoms to form a mixture of distorted edge and corner-sharing HfS2N4 octahedra. The corner-sharing octahedra tilt angles range from 0–29°. There are two shorter (2.13 Å) and two longer (2.14 Å) Hf–N bond lengths. Both Hf–S bond lengths are 2.66 Å. N3- is bonded to four equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing NHf4 tetrahedra. S2- is bonded in a square co-planar geometry to four equivalent Hf4+ atoms.

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36 MATERIALS SCIENCEcrystal structureHf-N-SHf2SN2

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2020-05-02. Materials Data on Hf2SN2 by Materials Project. https://doi.org/10.17188/1754090

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