Materials Data on In(IO4)3 by Materials Project

Abstract

In(O4I)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent In sites. In the first In site, In is bonded in an octahedral geometry to six O atoms. There are a spread of In–O bond distances ranging from 2.17–2.21 Å. In the second In site, In is bonded in an octahedral geometry to six O atoms. There are a spread of In–O bond distances ranging from 2.16–2.40 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one In and one I atom. The O–I bond length is 1.84 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one In and one I atom. The O–I bond length is 1.87 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to two I atoms. There are one shorter (1.82 Å) and one longer (2.51 Å) O–I bond lengths. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one In and one I atom. The O–I bond length is 1.88 Å. In the fifth O site, O is bonded in a distorted single-bond geometry to two I atoms. There are one shorter (1.82 Å) and one longer (2.56 Å) O–I bond lengths. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent I atoms. There are one shorter (1.86 Å) and one longer (2.47 Å) O–I bond lengths. In the seventh O site, O is bonded in a bent 120 degrees geometry to one O and one I atom. The O–O bond length is 1.36 Å. The O–I bond length is 2.16 Å. In the eighth O site, O is bonded in a bent 120 degrees geometry to one In and one I atom. The O–I bond length is 1.86 Å. In the ninth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.81 Å. In the tenth O site, O is bonded in a bent 120 degrees geometry to one In and one O atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to one In and one O atom. The O–O bond length is 1.25 Å. In the twelfth O site, O is bonded in a single-bond geometry to one O atom. There are three inequivalent I sites. In the first I site, I is bonded in a 4-coordinate geometry to four O atoms. In the second I site, I is bonded in a 4-coordinate geometry to four O atoms. In the third I site, I is bonded in a 4-coordinate geometry to four O atoms.