Materials Data on SrI2O15 by Materials Project

Abstract

SrO15I2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one SrO15I2 ribbon oriented in the (1, 0, 0) direction. Sr is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Sr–O bond distances ranging from 2.40–2.85 Å. There are fifteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.21 Å. In the second O site, O is bonded in a distorted single-bond geometry to one Sr and one O atom. The O–O bond length is 1.23 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.85 Å. In the fourth O site, O is bonded in a water-like geometry to one Sr and one I atom. The O–I bond length is 1.89 Å. In the fifth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.86 Å. In the sixth O site, O is bonded in a water-like geometry to one Sr and one I atom. The O–I bond length is 1.90 Å. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one O and one I atom. The O–O bond length is 1.80 Å. The O–I bond length is 1.96 Å. In the eighth O site, O is bonded in an L-shaped geometry to one Sr and one I atom. The O–I bond length is 1.92 Å. In the ninth O site, O is bonded in a bent 150 degrees geometry to one Sr and one I atom. The O–I bond length is 1.84 Å. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to one Sr and one I atom. The O–I bond length is 1.89 Å. In the eleventh O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.93 Å. In the twelfth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.93 Å. In the thirteenth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.92 Å. In the fourteenth O site, O is bonded in a bent 150 degrees geometry to one Sr and one I atom. The O–I bond length is 1.84 Å. In the fifteenth O site, O is bonded in a bent 120 degrees geometry to two O atoms. There are two inequivalent I sites. In the first I site, I is bonded in an octahedral geometry to six O atoms. In the second I site, I is bonded in an octahedral geometry to six O atoms.