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DOE OSTI2020

Materials Data on USbTe by Materials Project

USbTe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U5+ is bonded in a 9-coordinate geometry to four equivalent Sb3- and five equivalent Te2- atoms. All U–Sb bond lengths are 3.28 Å. There are four shorter (3.18 Å) and one longer (3.28 Å) U–Te bond lengths. Sb3- is bonded in a 8-coordinate geometry to four equivalent U5+ and four equivalent Sb3- atoms. All Sb–Sb bond lengths are 3.05 Å. Te2- is bonded in a 5-coordinate geometry to five equivalent U5+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on U2SbTe by Materials Project

U2SbTe is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U is bonded to three equivalent Sb and three equivalent Te atoms to form a mixture of edge and corner-sharing USb3Te3 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–Sb bond lengths are 3.10 Å. All U–Te bond lengths are 3.11 Å. Sb is bonded to six equivalent U atoms to form SbU6 octahedra that share corners with six equivalent TeU6 octahedra, edges with six equivalent SbU6 octahedra, and edges with six equivalent TeU6 octahedra. The corner-sharing octahedral tilt angles are 0°. Te is bonded to six equivalent U atoms to form TeU6 octahedra that share corners with six equivalent SbU6 octahedra, edges with six equivalent SbU6 octahedra, and edges with six equivalent TeU6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗