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Title: Materials Data on Bi2(SeO3)3 by Materials Project

Abstract

Bi2(SeO3)3 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 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.31–2.93 Å. In the second Bi4+ site, Bi4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.29–2.81 Å. There are three inequivalent Se+3.33+ sites. In the first Se+3.33+ site, Se+3.33+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.77 Å. In the second Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.73–1.75 Å. In the third Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.75 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Bi4+ and one Se+3.33+ atom. In the second O2- site, O2- ismore » bonded in a 2-coordinate geometry to two Bi4+ and one Se+3.33+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Bi4+ and one Se+3.33+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Bi4+ and one Se+3.33+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Bi4+ and one Se+3.33+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Bi4+ and one Se+3.33+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Bi4+ and one Se+3.33+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Bi4+ and one Se+3.33+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Bi4+ and one Se+3.33+ atom.« less

Publication Date:
Other Number(s):
mp-29833
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; Bi2(SeO3)3; Bi-O-Se
OSTI Identifier:
1204284
DOI:
https://doi.org/10.17188/1204284

Citation Formats

The Materials Project. Materials Data on Bi2(SeO3)3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1204284.
The Materials Project. Materials Data on Bi2(SeO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1204284
The Materials Project. 2017. "Materials Data on Bi2(SeO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1204284. https://www.osti.gov/servlets/purl/1204284. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1204284,
title = {Materials Data on Bi2(SeO3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2(SeO3)3 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 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.31–2.93 Å. In the second Bi4+ site, Bi4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.29–2.81 Å. There are three inequivalent Se+3.33+ sites. In the first Se+3.33+ site, Se+3.33+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.77 Å. In the second Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.73–1.75 Å. In the third Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.75 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Bi4+ and one Se+3.33+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Bi4+ and one Se+3.33+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Bi4+ and one Se+3.33+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Bi4+ and one Se+3.33+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Bi4+ and one Se+3.33+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Bi4+ and one Se+3.33+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Bi4+ and one Se+3.33+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Bi4+ and one Se+3.33+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Bi4+ and one Se+3.33+ atom.},
doi = {10.17188/1204284},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}