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Title: Materials Data on LiBi3O5 by Materials Project

Abstract

LiBi3O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a distorted trigonal pyramidal geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.04 Å. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.51 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.30–2.53 Å. In the third Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.52 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+ and three Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three Bi3+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+ and three Bi3+ atoms. In the fourth O2- site, O2- is bondedmore » in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+ and three Bi3+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-768997
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; LiBi3O5; Bi-Li-O
OSTI Identifier:
1298598
DOI:
10.17188/1298598

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LiBi3O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298598.
Persson, Kristin, & Project, Materials. Materials Data on LiBi3O5 by Materials Project. United States. doi:10.17188/1298598.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LiBi3O5 by Materials Project". United States. doi:10.17188/1298598. https://www.osti.gov/servlets/purl/1298598. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1298598,
title = {Materials Data on LiBi3O5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LiBi3O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a distorted trigonal pyramidal geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.04 Å. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.51 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.30–2.53 Å. In the third Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.52 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+ and three Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three Bi3+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+ and three Bi3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+ and three Bi3+ atoms.},
doi = {10.17188/1298598},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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