Materials Data on USbAs by Materials Project

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

DOI:https://doi.org/10.17188/1196009· OSTI ID:1196009

UAsSb is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U6+ is bonded in a 5-coordinate geometry to four equivalent Sb3- and five equivalent As3- atoms. All U–Sb bond lengths are 3.27 Å. There are one shorter (2.86 Å) and four longer (2.96 Å) U–As bond lengths. Sb3- is bonded to four equivalent U6+ and four equivalent Sb3- atoms to form distorted SbU4Sb4 hexagonal bipyramids that share corners with four equivalent SbU4Sb4 hexagonal bipyramids, corners with twelve equivalent AsU5 square pyramids, edges with four equivalent SbU4Sb4 hexagonal bipyramids, edges with four equivalent AsU5 square pyramids, and faces with four equivalent SbU4Sb4 hexagonal bipyramids. All Sb–Sb bond lengths are 2.93 Å. As3- is bonded to five equivalent U6+ atoms to form AsU5 square pyramids that share corners with twelve equivalent SbU4Sb4 hexagonal bipyramids, corners with four equivalent AsU5 square pyramids, edges with four equivalent SbU4Sb4 hexagonal bipyramids, and edges with eight equivalent AsU5 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: 1196009
• Report Number(s): mp-20803
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
As-Sb-U
USbAs
crystal structure