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Title: Materials Data on YBiO3 by Materials Project

Abstract

BiYO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Y–O bond lengths are 2.41 Å. Bi3+ is bonded to five O2- atoms to form corner-sharing BiO5 trigonal bipyramids. There are three shorter (2.22 Å) and two longer (2.36 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to three equivalent Y3+ and one Bi3+ atom to form a mixture of edge and corner-sharing OY3Bi tetrahedra.

Publication Date:
Other Number(s):
mvc-15941
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:
1319591
DOI:
10.17188/1319591

Citation Formats

The Materials Project. Materials Data on YBiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319591.
The Materials Project. Materials Data on YBiO3 by Materials Project. United States. doi:10.17188/1319591.
The Materials Project. 2020. "Materials Data on YBiO3 by Materials Project". United States. doi:10.17188/1319591. https://www.osti.gov/servlets/purl/1319591. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1319591,
title = {Materials Data on YBiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BiYO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Y–O bond lengths are 2.41 Å. Bi3+ is bonded to five O2- atoms to form corner-sharing BiO5 trigonal bipyramids. There are three shorter (2.22 Å) and two longer (2.36 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to three equivalent Y3+ and one Bi3+ atom to form a mixture of edge and corner-sharing OY3Bi tetrahedra.},
doi = {10.17188/1319591},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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