DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Bi2SeO7 by Materials Project

Abstract

Bi2SeO7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Bi4+ sites. In the first Bi4+ site, Bi4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.54 Å. In the second Bi4+ site, Bi4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.90 Å. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Bi4+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Bi4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi4+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Bi4+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Bi4+ and one Se6+ atom. In the sixth O2-more » site, O2- is bonded in a distorted single-bond geometry to one Bi4+ and one Se6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Bi4+ and one Se6+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1214379
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; Bi2SeO7; Bi-O-Se
OSTI Identifier:
1712092
DOI:
https://doi.org/10.17188/1712092

Citation Formats

The Materials Project. Materials Data on Bi2SeO7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1712092.
The Materials Project. Materials Data on Bi2SeO7 by Materials Project. United States. doi:https://doi.org/10.17188/1712092
The Materials Project. 2019. "Materials Data on Bi2SeO7 by Materials Project". United States. doi:https://doi.org/10.17188/1712092. https://www.osti.gov/servlets/purl/1712092. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1712092,
title = {Materials Data on Bi2SeO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2SeO7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Bi4+ sites. In the first Bi4+ site, Bi4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.54 Å. In the second Bi4+ site, Bi4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.90 Å. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Bi4+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Bi4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi4+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Bi4+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Bi4+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Bi4+ and one Se6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Bi4+ and one Se6+ atom.},
doi = {10.17188/1712092},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}