Materials Data on UCoC2 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1731576· OSTI ID:1731576

UCoC2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U6+ is bonded to five equivalent C4- atoms to form a mixture of distorted edge and corner-sharing UC5 square pyramids. There are one shorter (2.34 Å) and four longer (2.48 Å) U–C bond lengths. Co2+ is bonded to four equivalent C4- atoms to form CoC4 tetrahedra that share corners with four equivalent CU5C octahedra, corners with four equivalent CoC4 tetrahedra, and edges with four equivalent CoC4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. All Co–C bond lengths are 2.08 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a 5-coordinate geometry to four equivalent Co2+ and one C4- atom. The C–C bond length is 1.47 Å. In the second C4- site, C4- is bonded to five equivalent U6+ and one C4- atom to form CU5C octahedra that share corners with four equivalent CU5C octahedra, corners with four equivalent CoC4 tetrahedra, and edges with eight equivalent CU5C octahedra. The corner-sharing octahedral tilt angles are 13°.

• 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: 1731576
• Report Number(s): mp-1079701
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
C-Co-U
UCoC2
crystal structure