Materials Data on USnIr by Materials Project

Abstract

UIrSn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 11-coordinate geometry to five Ir and six Sn atoms. There are four shorter (3.01 Å) and one longer (3.06 Å) U–Ir bond lengths. There are two shorter (3.17 Å) and four longer (3.36 Å) U–Sn bond lengths. In the second U site, U is bonded in a 11-coordinate geometry to five Ir and six Sn atoms. There are a spread of U–Ir bond distances ranging from 3.00–3.08 Å. There are two shorter (3.17 Å) and four longer (3.36 Å) U–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to six U and three Sn atoms. All Ir–Sn bond lengths are 2.80 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to three U and six Sn atoms. All Ir–Sn bond lengths are 2.76 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to six U and four Ir atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to six U and four Ir atoms.