Materials Data on U4Te3O4 by Materials Project

Abstract

U4O4Te3 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two U4O4Te3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent U+3.50+ sites. In the first U+3.50+ site, U+3.50+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All U–Te bond lengths are 3.39 Å. All U–O bond lengths are 2.27 Å. In the second U+3.50+ site, U+3.50+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All U–Te bond lengths are 3.19 Å. All U–O bond lengths are 2.40 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to eight equivalent U+3.50+ and eight equivalent O2- atoms. All Te–O bond lengths are 3.62 Å. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to four equivalent U+3.50+ atoms. O2- is bonded to four U+3.50+ and two equivalent Te2- atoms to form a mixture of face, edge, and corner-sharing OU4Te2 tetrahedra.