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DOE OSTI · 1279314

Materials Data on LiHO2 by Materials Project

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Abstract

LiHO2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two LiHO2 ribbons oriented in the (0, 0, 1) direction. Li is bonded to four O atoms to form a mixture of edge and corner-sharing LiO4 trigonal pyramids. There is two shorter (1.97 Å) and two longer (1.99 Å) Li–O bond length. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two equivalent Li and one H atom. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Li atoms.

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36 MATERIALS SCIENCEcrystal structureH-Li-OLiHO2

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2020-07-15. Materials Data on LiHO2 by Materials Project. https://doi.org/10.17188/1279314

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