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Title: Materials Data on Si(Bi3O5)4 by Materials Project

Abstract

Bi12SiO20 crystallizes in the cubic I23 space group. The structure is three-dimensional. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.67 Å. Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Si4+ and three equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Bi3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-23492
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; Si(Bi3O5)4; Bi-O-Si
OSTI Identifier:
1199545
DOI:
https://doi.org/10.17188/1199545

Citation Formats

The Materials Project. Materials Data on Si(Bi3O5)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199545.
The Materials Project. Materials Data on Si(Bi3O5)4 by Materials Project. United States. doi:https://doi.org/10.17188/1199545
The Materials Project. 2020. "Materials Data on Si(Bi3O5)4 by Materials Project". United States. doi:https://doi.org/10.17188/1199545. https://www.osti.gov/servlets/purl/1199545. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1199545,
title = {Materials Data on Si(Bi3O5)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi12SiO20 crystallizes in the cubic I23 space group. The structure is three-dimensional. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.67 Å. Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Si4+ and three equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Bi3+ atoms.},
doi = {10.17188/1199545},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}