Materials Data on Rb(IO3)3 by Materials Project

Abstract

Rb(O3I)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.28 Å. In the second Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.46 Å. There are eighteen inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to two I atoms. There are one shorter (1.87 Å) and one longer (2.45 Å) O–I bond lengths. In the second O site, O is bonded in a distorted single-bond geometry to two I atoms. There are one shorter (1.84 Å) and one longer (2.57 Å) O–I bond lengths. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one I atom. The O–I bond length is 1.83 Å. In the fourth O site, O is bonded in a distorted single-bond geometry to one Rb and one I atom. The O–I bond length is 1.87 Å. In the fifth O site, O is bonded in a 1-coordinate geometry to one Rb and two equivalent I atoms. There are one shorter (1.86 Å) and one longer (2.35 Å) O–I bond lengths. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Rb and two I atoms. There are one shorter (1.95 Å) and one longer (2.06 Å) O–I bond lengths. In the seventh O site, O is bonded in a 2-coordinate geometry to two I atoms. There are one shorter (1.84 Å) and one longer (2.45 Å) O–I bond lengths. In the eighth O site, O is bonded in a distorted single-bond geometry to one Rb and two I atoms. There are one shorter (1.83 Å) and one longer (2.62 Å) O–I bond lengths. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to one Rb and one I atom. The O–I bond length is 1.81 Å. In the tenth O site, O is bonded in a 3-coordinate geometry to one Rb and two I atoms. There are one shorter (1.90 Å) and one longer (2.23 Å) O–I bond lengths. In the eleventh O site, O is bonded in a distorted single-bond geometry to one Rb and one I atom. The O–I bond length is 1.83 Å. In the twelfth O site, O is bonded in a distorted single-bond geometry to one Rb and one I atom. The O–I bond length is 1.81 Å. In the thirteenth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Rb and one I atom. The O–I bond length is 1.84 Å. In the fourteenth O site, O is bonded in a 1-coordinate geometry to one Rb and one I atom. The O–I bond length is 1.83 Å. In the fifteenth O site, O is bonded in a distorted water-like geometry to one Rb and one I atom. The O–I bond length is 1.81 Å. In the sixteenth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one I atom. The O–I bond length is 1.84 Å. In the seventeenth O site, O is bonded in a distorted single-bond geometry to one Rb and one I atom. The O–I bond length is 1.91 Å. In the eighteenth O site, O is bonded in a distorted L-shaped geometry to two equivalent Rb atoms. There are six inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to four O atoms. In the second I site, I is bonded to five O atoms to form distorted edge-sharing IO5 square pyramids. In the third I site, I is bonded in a 5-coordinate geometry to five O atoms. In the fourth I site, I is bonded in a 3-coordinate geometry to three O atoms. In the fifth I site, I is bonded in a 4-coordinate geometry to four O atoms. In the sixth I site, I is bonded in a distorted trigonal non-coplanar geometry to three O atoms.