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Title: Materials Data on LiBi3(IO2)2 by Materials Project

Abstract

LiBi3(O2I)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.11 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four I1- atoms. All Bi–O bond lengths are 2.30 Å. There are two shorter (3.51 Å) and two longer (3.57 Å) Bi–I bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four I1- atoms. All Bi–O bond lengths are 2.28 Å. There are a spread of Bi–I bond distances ranging from 3.58–3.66 Å. O2- is bonded to one Li1+ and three Bi3+ atoms to form a mixture of distorted corner and edge-sharing OLiBi3 tetrahedra. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 6-coordinate geometry to six Bi3+ atoms. In the second I1- site, I1- is bonded in a 6-coordinate geometry to six Bi3+ atoms.

Publication Date:
Other Number(s):
mp-775430
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; LiBi3(IO2)2; Bi-I-Li-O
OSTI Identifier:
1303128
DOI:
10.17188/1303128

Citation Formats

The Materials Project. Materials Data on LiBi3(IO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1303128.
The Materials Project. Materials Data on LiBi3(IO2)2 by Materials Project. United States. doi:10.17188/1303128.
The Materials Project. 2020. "Materials Data on LiBi3(IO2)2 by Materials Project". United States. doi:10.17188/1303128. https://www.osti.gov/servlets/purl/1303128. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1303128,
title = {Materials Data on LiBi3(IO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiBi3(O2I)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.11 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four I1- atoms. All Bi–O bond lengths are 2.30 Å. There are two shorter (3.51 Å) and two longer (3.57 Å) Bi–I bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four I1- atoms. All Bi–O bond lengths are 2.28 Å. There are a spread of Bi–I bond distances ranging from 3.58–3.66 Å. O2- is bonded to one Li1+ and three Bi3+ atoms to form a mixture of distorted corner and edge-sharing OLiBi3 tetrahedra. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 6-coordinate geometry to six Bi3+ atoms. In the second I1- site, I1- is bonded in a 6-coordinate geometry to six Bi3+ atoms.},
doi = {10.17188/1303128},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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