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Title: Materials Data on Sc3CoC4 by Materials Project

Abstract

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.

Publication Date:
Other Number(s):
mp-5075
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sc3CoC4; C-Co-Sc
OSTI Identifier:
1262791
DOI:
https://doi.org/10.17188/1262791

Citation Formats

The Materials Project. Materials Data on Sc3CoC4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262791.
The Materials Project. Materials Data on Sc3CoC4 by Materials Project. United States. doi:https://doi.org/10.17188/1262791
The Materials Project. 2020. "Materials Data on Sc3CoC4 by Materials Project". United States. doi:https://doi.org/10.17188/1262791. https://www.osti.gov/servlets/purl/1262791. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1262791,
title = {Materials Data on Sc3CoC4 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1262791},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}