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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on U2Te3 by Materials Project

U2Te3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded to seven Te2- atoms to form a mixture of distorted corner and edge-sharing UTe7 pentagonal bipyramids. There are a spread of U–Te bond distances ranging from 3.08–3.16 Å. In the second U3+ site, U3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.13–3.59 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to five U3+ atoms to form a mixture of distorted corner and edge-sharing TeU5 trigonal bipyramids. In the second Te2- site, Te2- is bonded to five U3+ atoms to form a mixture of distorted corner and edge-sharing TeU5 square pyramids. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to five U3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U2Te3 by Materials Project

U2Te3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent U3+ sites. In the first U3+ site, U3+ is bonded to eight Te2- atoms to form a mixture of distorted face, edge, and corner-sharing UTe8 hexagonal bipyramids. There are a spread of U–Te bond distances ranging from 3.10–3.26 Å. In the second U3+ site, U3+ is bonded to eight Te2- atoms to form a mixture of distorted face, edge, and corner-sharing UTe8 hexagonal bipyramids. There are a spread of U–Te bond distances ranging from 3.12–3.28 Å. In the third U3+ site, U3+ is bonded to eight Te2- atoms to form a mixture of distorted face, edge, and corner-sharing UTe8 hexagonal bipyramids. There are a spread of U–Te bond distances ranging from 3.12–3.27 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to six U3+ atoms. In the second Te2- site, Te2- is bonded to five U3+ atoms to form a mixture of distorted face, edge, and corner-sharing TeU5 square pyramids. In the third Te2- site, Te2- is bonded to five U3+ atoms to form a mixture of distorted face, edge, and corner-sharing TeU5 square pyramids.

36 MATERIALS SCIENCE↗