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Title: Materials Data on ScCuO3 by Materials Project

Abstract

ScCuO3 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 CuO6 octahedra. All Sc–O bond lengths are 2.64 Å. Cu3+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent ScO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.86 Å. O2- is bonded in a distorted linear geometry to four equivalent Sc3+ and two equivalent Cu3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-973068
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; ScCuO3; Cu-O-Sc
OSTI Identifier:
1314005
DOI:
https://doi.org/10.17188/1314005

Citation Formats

The Materials Project. Materials Data on ScCuO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314005.
The Materials Project. Materials Data on ScCuO3 by Materials Project. United States. doi:https://doi.org/10.17188/1314005
The Materials Project. 2020. "Materials Data on ScCuO3 by Materials Project". United States. doi:https://doi.org/10.17188/1314005. https://www.osti.gov/servlets/purl/1314005. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1314005,
title = {Materials Data on ScCuO3 by Materials Project},
author = {The Materials Project},
abstractNote = {ScCuO3 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 CuO6 octahedra. All Sc–O bond lengths are 2.64 Å. Cu3+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent ScO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.86 Å. O2- is bonded in a distorted linear geometry to four equivalent Sc3+ and two equivalent Cu3+ atoms.},
doi = {10.17188/1314005},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}