Materials Data on U3Ge by Materials Project

Dataset · Mon May 04 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1730596· OSTI ID:1730596

U3Ge is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to eight U and four equivalent Ge atoms to form distorted UU8Ge4 cuboctahedra that share corners with twelve equivalent UU8Ge4 cuboctahedra, edges with eight equivalent GeU12 cuboctahedra, edges with sixteen UU8Ge4 cuboctahedra, faces with four equivalent GeU12 cuboctahedra, and faces with fourteen UU8Ge4 cuboctahedra. There are four shorter (3.02 Å) and four longer (3.06 Å) U–U bond lengths. All U–Ge bond lengths are 3.02 Å. In the second U site, U is bonded to eight equivalent U and four equivalent Ge atoms to form distorted UU8Ge4 cuboctahedra that share corners with four equivalent UU8Ge4 cuboctahedra, corners with eight equivalent GeU12 cuboctahedra, edges with twenty-four UU8Ge4 cuboctahedra, faces with six equivalent GeU12 cuboctahedra, and faces with twelve UU8Ge4 cuboctahedra. All U–Ge bond lengths are 3.06 Å. Ge is bonded to twelve U atoms to form GeU12 cuboctahedra that share corners with four equivalent GeU12 cuboctahedra, corners with eight equivalent UU8Ge4 cuboctahedra, edges with eight equivalent GeU12 cuboctahedra, edges with sixteen equivalent UU8Ge4 cuboctahedra, faces with four equivalent GeU12 cuboctahedra, and faces with fourteen UU8Ge4 cuboctahedra.

• 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: 1730596
• Report Number(s): mp-1187668
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-U
U3Ge
crystal structure