Materials Data on UTe3 by Materials Project

Abstract

UTe3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one UTe3 sheet oriented in the (0, 0, 1) direction. U6+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.18 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U6+ and two equivalent Te2- atoms. There are one shorter (2.83 Å) and one longer (3.21 Å) Te–Te bond lengths. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U6+ and two equivalent Te2- atoms. In the third Te2- site, Te2- is bonded to four equivalent U6+ atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids.