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Title: Materials Data on ScCo3C by Materials Project

Abstract

ScCo3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Co atoms to form ScCo12 cuboctahedra that share corners with twelve equivalent ScCo12 cuboctahedra, faces with six equivalent ScCo12 cuboctahedra, and faces with eight equivalent CCo6 octahedra. All Sc–Co bond lengths are 2.70 Å. Co is bonded in a distorted linear geometry to four equivalent Sc and two equivalent C atoms. Both Co–C bond lengths are 1.91 Å. C is bonded to six equivalent Co atoms to form CCo6 octahedra that share corners with six equivalent CCo6 octahedra and faces with eight equivalent ScCo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-10270
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; ScCo3C; C-Co-Sc
OSTI Identifier:
1186865
DOI:
https://doi.org/10.17188/1186865

Citation Formats

The Materials Project. Materials Data on ScCo3C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1186865.
The Materials Project. Materials Data on ScCo3C by Materials Project. United States. doi:https://doi.org/10.17188/1186865
The Materials Project. 2020. "Materials Data on ScCo3C by Materials Project". United States. doi:https://doi.org/10.17188/1186865. https://www.osti.gov/servlets/purl/1186865. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1186865,
title = {Materials Data on ScCo3C by Materials Project},
author = {The Materials Project},
abstractNote = {ScCo3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Co atoms to form ScCo12 cuboctahedra that share corners with twelve equivalent ScCo12 cuboctahedra, faces with six equivalent ScCo12 cuboctahedra, and faces with eight equivalent CCo6 octahedra. All Sc–Co bond lengths are 2.70 Å. Co is bonded in a distorted linear geometry to four equivalent Sc and two equivalent C atoms. Both Co–C bond lengths are 1.91 Å. C is bonded to six equivalent Co atoms to form CCo6 octahedra that share corners with six equivalent CCo6 octahedra and faces with eight equivalent ScCo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1186865},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}