Materials Data on UTeSe by Materials Project

Abstract

USeTe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded in a 9-coordinate geometry to five equivalent Te2- and four equivalent Se2- atoms. There are four shorter (3.25 Å) and one longer (3.31 Å) U–Te bond lengths. There are a spread of U–Se bond distances ranging from 2.89–2.97 Å. Te2- is bonded in a 5-coordinate geometry to five equivalent U4+, two equivalent Te2-, and six equivalent Se2- atoms. Both Te–Te bond lengths are 3.67 Å. There are a spread of Te–Se bond distances ranging from 3.42–3.91 Å. Se2- is bonded to four equivalent U4+ and six equivalent Te2- atoms to form a mixture of distorted corner, edge, and face-sharing SeU4Te6 tetrahedra.