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Title: Materials Data on ScO2 by Materials Project

Abstract

ScO2 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two ScO2 sheets oriented in the (0, 1, 0) direction. Sc is bonded to six O atoms to form a mixture of distorted corner and edge-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sc–O bond distances ranging from 2.08–2.19 Å. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Sc atoms to form a mixture of distorted corner and edge-sharing OSc4 trigonal pyramids. In the second O site, O is bonded in a water-like geometry to two equivalent Sc atoms.

Authors:
Publication Date:
Other Number(s):
mp-1179108
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; ScO2; O-Sc
OSTI Identifier:
1695321
DOI:
https://doi.org/10.17188/1695321

Citation Formats

The Materials Project. Materials Data on ScO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1695321.
The Materials Project. Materials Data on ScO2 by Materials Project. United States. doi:https://doi.org/10.17188/1695321
The Materials Project. 2020. "Materials Data on ScO2 by Materials Project". United States. doi:https://doi.org/10.17188/1695321. https://www.osti.gov/servlets/purl/1695321. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1695321,
title = {Materials Data on ScO2 by Materials Project},
author = {The Materials Project},
abstractNote = {ScO2 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two ScO2 sheets oriented in the (0, 1, 0) direction. Sc is bonded to six O atoms to form a mixture of distorted corner and edge-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sc–O bond distances ranging from 2.08–2.19 Å. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Sc atoms to form a mixture of distorted corner and edge-sharing OSc4 trigonal pyramids. In the second O site, O is bonded in a water-like geometry to two equivalent Sc atoms.},
doi = {10.17188/1695321},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}