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Title: Materials Data on YbBO3 by Materials Project

Abstract

YbBO3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Yb–O bond lengths are 2.48 Å. In the second Yb3+ site, Yb3+ is bonded in a distorted octahedral geometry to six equivalent O2- atoms. All Yb–O bond lengths are 2.33 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.37 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Yb3+ and one B3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one B3+ atom.

Publication Date:
Other Number(s):
mp-14237
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; YbBO3; B-O-Yb
OSTI Identifier:
1190571
DOI:
https://doi.org/10.17188/1190571

Citation Formats

The Materials Project. Materials Data on YbBO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190571.
The Materials Project. Materials Data on YbBO3 by Materials Project. United States. doi:https://doi.org/10.17188/1190571
The Materials Project. 2020. "Materials Data on YbBO3 by Materials Project". United States. doi:https://doi.org/10.17188/1190571. https://www.osti.gov/servlets/purl/1190571. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1190571,
title = {Materials Data on YbBO3 by Materials Project},
author = {The Materials Project},
abstractNote = {YbBO3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Yb–O bond lengths are 2.48 Å. In the second Yb3+ site, Yb3+ is bonded in a distorted octahedral geometry to six equivalent O2- atoms. All Yb–O bond lengths are 2.33 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.37 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Yb3+ and one B3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one B3+ atom.},
doi = {10.17188/1190571},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}