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Title: Materials Data on ScVO3 by Materials Project

Abstract

ScVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Sc–O bond distances ranging from 2.04–2.44 Å. V3+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are four shorter (2.00 Å) and two longer (2.13 Å) V–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sc3+ and two equivalent V3+ atoms to form distorted corner-sharing OSc2V2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sc3+ and two equivalent V3+ atoms.

Publication Date:
Other Number(s):
mp-769785
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; ScVO3; O-Sc-V
OSTI Identifier:
1299160
DOI:
10.17188/1299160

Citation Formats

The Materials Project. Materials Data on ScVO3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1299160.
The Materials Project. Materials Data on ScVO3 by Materials Project. United States. doi:10.17188/1299160.
The Materials Project. 2017. "Materials Data on ScVO3 by Materials Project". United States. doi:10.17188/1299160. https://www.osti.gov/servlets/purl/1299160. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1299160,
title = {Materials Data on ScVO3 by Materials Project},
author = {The Materials Project},
abstractNote = {ScVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Sc–O bond distances ranging from 2.04–2.44 Å. V3+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are four shorter (2.00 Å) and two longer (2.13 Å) V–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sc3+ and two equivalent V3+ atoms to form distorted corner-sharing OSc2V2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sc3+ and two equivalent V3+ atoms.},
doi = {10.17188/1299160},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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