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Title: Materials Data on ScAsO3 by Materials Project

Abstract

ScAsO3 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 AsO6 octahedra. All Sc–O bond lengths are 2.79 Å. As3+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent AsO6 octahedra and faces with eight equivalent ScO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–O bond lengths are 1.97 Å. O2- is bonded in a distorted linear geometry to four equivalent Sc3+ and two equivalent As3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-973156
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; ScAsO3; As-O-Sc
OSTI Identifier:
1314029
DOI:
https://doi.org/10.17188/1314029

Citation Formats

The Materials Project. Materials Data on ScAsO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314029.
The Materials Project. Materials Data on ScAsO3 by Materials Project. United States. doi:https://doi.org/10.17188/1314029
The Materials Project. 2020. "Materials Data on ScAsO3 by Materials Project". United States. doi:https://doi.org/10.17188/1314029. https://www.osti.gov/servlets/purl/1314029. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1314029,
title = {Materials Data on ScAsO3 by Materials Project},
author = {The Materials Project},
abstractNote = {ScAsO3 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 AsO6 octahedra. All Sc–O bond lengths are 2.79 Å. As3+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent AsO6 octahedra and faces with eight equivalent ScO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–O bond lengths are 1.97 Å. O2- is bonded in a distorted linear geometry to four equivalent Sc3+ and two equivalent As3+ atoms.},
doi = {10.17188/1314029},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}