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Title: Materials Data on YbScO2 by Materials Project

Abstract

YbScO2 is Caswellsilverite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent O2- atoms to form distorted YbO6 pentagonal pyramids that share corners with six equivalent ScO6 octahedra, edges with six equivalent ScO6 octahedra, and edges with six equivalent YbO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 5°. All Yb–O bond lengths are 2.36 Å. Sc2+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent YbO6 pentagonal pyramids, edges with six equivalent ScO6 octahedra, and edges with six equivalent YbO6 pentagonal pyramids. All Sc–O bond lengths are 2.23 Å. O2- is bonded to three equivalent Yb2+ and three equivalent Sc2+ atoms to form a mixture of face, edge, and corner-sharing OYb3Sc3 octahedra. The corner-sharing octahedra tilt angles range from 0–46°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-769119
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; YbScO2; O-Sc-Yb
OSTI Identifier:
1298648
DOI:
10.17188/1298648

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on YbScO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298648.
Persson, Kristin, & Project, Materials. Materials Data on YbScO2 by Materials Project. United States. doi:10.17188/1298648.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on YbScO2 by Materials Project". United States. doi:10.17188/1298648. https://www.osti.gov/servlets/purl/1298648. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1298648,
title = {Materials Data on YbScO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {YbScO2 is Caswellsilverite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent O2- atoms to form distorted YbO6 pentagonal pyramids that share corners with six equivalent ScO6 octahedra, edges with six equivalent ScO6 octahedra, and edges with six equivalent YbO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 5°. All Yb–O bond lengths are 2.36 Å. Sc2+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent YbO6 pentagonal pyramids, edges with six equivalent ScO6 octahedra, and edges with six equivalent YbO6 pentagonal pyramids. All Sc–O bond lengths are 2.23 Å. O2- is bonded to three equivalent Yb2+ and three equivalent Sc2+ atoms to form a mixture of face, edge, and corner-sharing OYb3Sc3 octahedra. The corner-sharing octahedra tilt angles range from 0–46°.},
doi = {10.17188/1298648},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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