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DOE OSTI · 1698455

Materials Data on LiIO3 by Materials Project

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Abstract

LiIO3 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two LiIO3 ribbons oriented in the (0, 0, 1) direction. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.09 Å) and two longer (2.39 Å) Li–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.12 Å. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one I5+ atom. The O–I bond length is 1.84 Å. I5+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms.

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36 MATERIALS SCIENCEcrystal structureI-Li-OLiIO3

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2019-01-11. Materials Data on LiIO3 by Materials Project. https://doi.org/10.17188/1698455

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