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DOE OSTI · 1663823

Materials Data on CdHOF by Materials Project

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Abstract

Cd(OH)F crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Cd2+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of edge and corner-sharing CdO3F3 octahedra. The corner-sharing octahedra tilt angles range from 53–59°. There are two shorter (2.28 Å) and one longer (2.29 Å) Cd–O bond lengths. There are one shorter (2.36 Å) and two longer (2.39 Å) Cd–F bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Cd2+ and one H1+ atom. F1- is bonded in a 3-coordinate geometry to three equivalent Cd2+ atoms.

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36 MATERIALS SCIENCECd-F-H-OCdHOFcrystal structure

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2019-01-13. Materials Data on CdHOF by Materials Project. https://doi.org/10.17188/1663823

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