Materials Data on UAsP by Materials Project

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

DOI:https://doi.org/10.17188/1654764· OSTI ID:1654764

PUAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U6+ is bonded in a 9-coordinate geometry to four equivalent As3- and five equivalent P3- atoms. All U–As bond lengths are 3.04 Å. All U–P bond lengths are 2.77 Å. As3- is bonded to four equivalent U6+ and four equivalent As3- atoms to form distorted AsU4As4 hexagonal bipyramids that share corners with four equivalent AsU4As4 hexagonal bipyramids, corners with twelve equivalent PU5 square pyramids, edges with four equivalent AsU4As4 hexagonal bipyramids, edges with four equivalent PU5 square pyramids, and faces with four equivalent AsU4As4 hexagonal bipyramids. All As–As bond lengths are 2.73 Å. P3- is bonded to five equivalent U6+ atoms to form PU5 square pyramids that share corners with twelve equivalent AsU4As4 hexagonal bipyramids, corners with four equivalent PU5 square pyramids, edges with four equivalent AsU4As4 hexagonal bipyramids, and edges with eight equivalent PU5 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: 1654764
• Report Number(s): mp-1077201
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
As-P-U
UAsP
crystal structure