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Title: Materials Data on YBiO3 by Materials Project

Abstract

BiYO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Y3+ is bonded to six equivalent O2- atoms to form distorted YO6 octahedra that share corners with three equivalent BiO6 octahedra, corners with six equivalent YO6 octahedra, edges with three equivalent BiO6 octahedra, and a faceface with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 42–69°. There are three shorter (2.25 Å) and three longer (2.36 Å) Y–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form distorted BiO6 octahedra that share corners with three equivalent YO6 octahedra, corners with six equivalent BiO6 octahedra, edges with three equivalent YO6 octahedra, and a faceface with one YO6 octahedra. The corner-sharing octahedra tilt angles range from 54–69°. There are three shorter (2.33 Å) and three longer (2.51 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Y3+ and two equivalent Bi3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-768221
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; YBiO3; Bi-O-Y
OSTI Identifier:
1298295
DOI:
10.17188/1298295

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on YBiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298295.
Persson, Kristin, & Project, Materials. Materials Data on YBiO3 by Materials Project. United States. doi:10.17188/1298295.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on YBiO3 by Materials Project". United States. doi:10.17188/1298295. https://www.osti.gov/servlets/purl/1298295. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1298295,
title = {Materials Data on YBiO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BiYO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Y3+ is bonded to six equivalent O2- atoms to form distorted YO6 octahedra that share corners with three equivalent BiO6 octahedra, corners with six equivalent YO6 octahedra, edges with three equivalent BiO6 octahedra, and a faceface with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 42–69°. There are three shorter (2.25 Å) and three longer (2.36 Å) Y–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form distorted BiO6 octahedra that share corners with three equivalent YO6 octahedra, corners with six equivalent BiO6 octahedra, edges with three equivalent YO6 octahedra, and a faceface with one YO6 octahedra. The corner-sharing octahedra tilt angles range from 54–69°. There are three shorter (2.33 Å) and three longer (2.51 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Y3+ and two equivalent Bi3+ atoms.},
doi = {10.17188/1298295},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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