DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on ScCoO3 by Materials Project

Abstract

ScCoO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc3+ is bonded to twelve equivalent O2- atoms to form ScO12 cuboctahedra that share corners with twelve equivalent ScO12 cuboctahedra, faces with six equivalent ScO12 cuboctahedra, and faces with eight equivalent CoO6 octahedra. All Sc–O bond lengths are 2.59 Å. Co3+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO6 octahedra and faces with eight equivalent ScO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Co–O bond lengths are 1.83 Å. O2- is bonded in a distorted linear geometry to four equivalent Sc3+ and two equivalent Co3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1186980
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ScCoO3; Co-O-Sc
OSTI Identifier:
1719877
DOI:
https://doi.org/10.17188/1719877

Citation Formats

The Materials Project. Materials Data on ScCoO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1719877.
The Materials Project. Materials Data on ScCoO3 by Materials Project. United States. doi:https://doi.org/10.17188/1719877
The Materials Project. 2020. "Materials Data on ScCoO3 by Materials Project". United States. doi:https://doi.org/10.17188/1719877. https://www.osti.gov/servlets/purl/1719877. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1719877,
title = {Materials Data on ScCoO3 by Materials Project},
author = {The Materials Project},
abstractNote = {ScCoO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc3+ is bonded to twelve equivalent O2- atoms to form ScO12 cuboctahedra that share corners with twelve equivalent ScO12 cuboctahedra, faces with six equivalent ScO12 cuboctahedra, and faces with eight equivalent CoO6 octahedra. All Sc–O bond lengths are 2.59 Å. Co3+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO6 octahedra and faces with eight equivalent ScO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Co–O bond lengths are 1.83 Å. O2- is bonded in a distorted linear geometry to four equivalent Sc3+ and two equivalent Co3+ atoms.},
doi = {10.17188/1719877},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}