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Title: Materials Data on Si3Bi2O9 by Materials Project

Abstract

Si3Bi2O9 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. Bi3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.19 Å) and three longer (2.71 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Si4+ and two equivalent Bi3+ atoms.

Publication Date:
Other Number(s):
mp-558672
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; Si3Bi2O9; Bi-O-Si
OSTI Identifier:
1270445
DOI:
10.17188/1270445

Citation Formats

The Materials Project. Materials Data on Si3Bi2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270445.
The Materials Project. Materials Data on Si3Bi2O9 by Materials Project. United States. doi:10.17188/1270445.
The Materials Project. 2020. "Materials Data on Si3Bi2O9 by Materials Project". United States. doi:10.17188/1270445. https://www.osti.gov/servlets/purl/1270445. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1270445,
title = {Materials Data on Si3Bi2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Si3Bi2O9 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. Bi3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.19 Å) and three longer (2.71 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Si4+ and two equivalent Bi3+ atoms.},
doi = {10.17188/1270445},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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