Materials Data on U3SiPt5 by Materials Project

Abstract

U3Pt5Si crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are two inequivalent U+4.67+ sites. In the first U+4.67+ site, U+4.67+ is bonded in a 9-coordinate geometry to ten Pt2- and one Si4- atom. There are a spread of U–Pt bond distances ranging from 2.93–3.47 Å. The U–Si bond length is 3.27 Å. In the second U+4.67+ site, U+4.67+ is bonded in a 6-coordinate geometry to seven Pt2- and one Si4- atom. There are a spread of U–Pt bond distances ranging from 2.86–3.30 Å. The U–Si bond length is 2.96 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 6-coordinate geometry to five U+4.67+, two equivalent Pt2-, and one Si4- atom. There are one shorter (2.87 Å) and one longer (2.92 Å) Pt–Pt bond lengths. The Pt–Si bond length is 2.54 Å. In the second Pt2- site, Pt2- is bonded in a 11-coordinate geometry to six U+4.67+, four Pt2-, and one Si4- atom. There are one shorter (2.84 Å) and one longer (2.94 Å) Pt–Pt bond lengths. The Pt–Si bond length is 2.55 Å. In the third Pt2- site, Pt2- is bonded in a 5-coordinate geometry to five U+4.67+, two equivalent Pt2-, and two equivalent Si4- atoms. There are one shorter (2.40 Å) and one longer (2.53 Å) Pt–Si bond lengths. Si4- is bonded in a 7-coordinate geometry to three U+4.67+ and six Pt2- atoms.