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Title: Materials Data on ScVO3 by Materials Project

Abstract

ScVO3 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 VO6 octahedra. All Sc–O bond lengths are 2.68 Å. V3+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent ScO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Sc3+ and two equivalent V3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-972978
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; ScVO3; O-Sc-V
OSTI Identifier:
1313984
DOI:
https://doi.org/10.17188/1313984

Citation Formats

The Materials Project. Materials Data on ScVO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313984.
The Materials Project. Materials Data on ScVO3 by Materials Project. United States. doi:https://doi.org/10.17188/1313984
The Materials Project. 2020. "Materials Data on ScVO3 by Materials Project". United States. doi:https://doi.org/10.17188/1313984. https://www.osti.gov/servlets/purl/1313984. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1313984,
title = {Materials Data on ScVO3 by Materials Project},
author = {The Materials Project},
abstractNote = {ScVO3 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 VO6 octahedra. All Sc–O bond lengths are 2.68 Å. V3+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent ScO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Sc3+ and two equivalent V3+ atoms.},
doi = {10.17188/1313984},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}