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DOE OSTI · 1271816

Materials Data on Ga(IO3)3 by Materials Project

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Abstract

Ga(IO3)3 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Ga3+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.00 Å) and three longer (2.01 Å) Ga–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.80 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ga3+ and one I5+ atom. The O–I bond length is 1.89 Å. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Ga3+ and one I5+ atom. The O–I bond length is 1.86 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.

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36 MATERIALS SCIENCEcrystal structureGa(IO3)3Ga-I-O

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2020-07-20. Materials Data on Ga(IO3)3 by Materials Project. https://doi.org/10.17188/1271816

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