Materials Data on USbSe by Materials Project

Dataset · Thu Jul 16 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1316998· OSTI ID:1316998

USbSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U5+ is bonded in a 5-coordinate geometry to four equivalent Sb3- and five equivalent Se2- atoms. All U–Sb bond lengths are 3.29 Å. There are one shorter (2.94 Å) and four longer (3.01 Å) U–Se bond lengths. Sb3- is bonded to four equivalent U5+ and four equivalent Sb3- atoms to form distorted SbU4Sb4 hexagonal bipyramids that share corners with four equivalent SbU4Sb4 hexagonal bipyramids, corners with twelve equivalent SeU5 square pyramids, edges with four equivalent SbU4Sb4 hexagonal bipyramids, edges with four equivalent SeU5 square pyramids, and faces with four equivalent SbU4Sb4 hexagonal bipyramids. All Sb–Sb bond lengths are 2.95 Å. Se2- is bonded to five equivalent U5+ atoms to form distorted SeU5 square pyramids that share corners with twelve equivalent SbU4Sb4 hexagonal bipyramids, corners with four equivalent SeU5 square pyramids, edges with four equivalent SbU4Sb4 hexagonal bipyramids, and edges with eight equivalent SeU5 square pyramids.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1316998
• Report Number(s): mp-9937
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Sb-Se-U
USbSe
crystal structure