Materials Data on Sc3CoC4 by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1262791· OSTI ID:1262791

The Materials Project

Sc3CoC4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sc2+ sites. In the first Sc2+ site, Sc2+ is bonded to eight equivalent C2- atoms to form face-sharing ScC8 hexagonal bipyramids. All Sc–C bond lengths are 2.38 Å. In the second Sc2+ site, Sc2+ is bonded in a 6-coordinate geometry to six equivalent C2- atoms. All Sc–C bond lengths are 2.37 Å. Co2+ is bonded in a square co-planar geometry to four equivalent C2- atoms. All Co–C bond lengths are 2.07 Å. C2- is bonded in a 7-coordinate geometry to five Sc2+, one Co2+, and one C2- atom. The C–C bond length is 1.45 Å.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1262791
• Report Number(s): mp-5075
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Sc3CoC4
C-Co-Sc