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Title: Materials Data on Bi2BO5 by Materials Project

Abstract

BBi2O5 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.39 Å) B–O bond length. Bi+3.50+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing BiO7 pentagonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.27–2.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two equivalent Bi+3.50+ atoms. In the second O2- site, O2- is bonded to four equivalent Bi+3.50+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two equivalent Bi+3.50+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-754692
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; Bi2BO5; B-Bi-O
OSTI Identifier:
1289520
DOI:
https://doi.org/10.17188/1289520

Citation Formats

The Materials Project. Materials Data on Bi2BO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289520.
The Materials Project. Materials Data on Bi2BO5 by Materials Project. United States. doi:https://doi.org/10.17188/1289520
The Materials Project. 2020. "Materials Data on Bi2BO5 by Materials Project". United States. doi:https://doi.org/10.17188/1289520. https://www.osti.gov/servlets/purl/1289520. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1289520,
title = {Materials Data on Bi2BO5 by Materials Project},
author = {The Materials Project},
abstractNote = {BBi2O5 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.39 Å) B–O bond length. Bi+3.50+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing BiO7 pentagonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.27–2.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two equivalent Bi+3.50+ atoms. In the second O2- site, O2- is bonded to four equivalent Bi+3.50+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two equivalent Bi+3.50+ atoms.},
doi = {10.17188/1289520},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}