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Materials Data on Rb2IO by Materials Project

Rb2OI crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a distorted T-shaped geometry to three equivalent O and five equivalent I atoms. There are two shorter (2.92 Å) and one longer (2.93 Å) Rb–O bond lengths. There are a spread of Rb–I bond distances ranging from 3.92–4.30 Å. In the second Rb site, Rb is bonded in a 2-coordinate geometry to two equivalent O and four equivalent I atoms. There are one shorter (2.67 Å) and one longer (2.85 Å) Rb–O bond lengths. There are two shorter (3.77 Å) and two longer (3.84 Å) Rb–I bond lengths. O is bonded to five Rb atoms to form a mixture of edge and corner-sharing ORb5 trigonal bipyramids. I is bonded in a 9-coordinate geometry to nine Rb atoms.

36 MATERIALS SCIENCE↗