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Title: Materials Data on SiBi3O7 by Materials Project

Abstract

SiBi3O7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.65 Å) and three longer (1.67 Å) Si–O bond length. Bi+3.33+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.90 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Bi+3.33+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Si4+ and three equivalent Bi+3.33+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Si4+ and three equivalent Bi+3.33+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-753860
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; SiBi3O7; Bi-O-Si
OSTI Identifier:
1289167
DOI:
https://doi.org/10.17188/1289167

Citation Formats

The Materials Project. Materials Data on SiBi3O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289167.
The Materials Project. Materials Data on SiBi3O7 by Materials Project. United States. doi:https://doi.org/10.17188/1289167
The Materials Project. 2020. "Materials Data on SiBi3O7 by Materials Project". United States. doi:https://doi.org/10.17188/1289167. https://www.osti.gov/servlets/purl/1289167. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289167,
title = {Materials Data on SiBi3O7 by Materials Project},
author = {The Materials Project},
abstractNote = {SiBi3O7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.65 Å) and three longer (1.67 Å) Si–O bond length. Bi+3.33+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.90 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Bi+3.33+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Si4+ and three equivalent Bi+3.33+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Si4+ and three equivalent Bi+3.33+ atoms.},
doi = {10.17188/1289167},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}