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Title: Materials Data on Li2BiO3 by Materials Project

Abstract

Li2BiO3 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a linear geometry to two equivalent O atoms. Both Li–O bond lengths are 1.88 Å. In the second Li site, Li is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.93 Å) and one longer (1.95 Å) Li–O bond length. Bi is bonded to six O atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Bi–O bond distances ranging from 2.22–2.30 Å. There are two inequivalent O sites. In the first O site, O is bonded to two Li and two equivalent Bi atoms to form a mixture of corner and edge-sharing OLi2Bi2 tetrahedra. In the second O site, O is bonded in a distorted trigonal planar geometry to one Li and two equivalent Bi atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-768970
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; Li2BiO3; Bi-Li-O
OSTI Identifier:
1298579
DOI:
10.17188/1298579

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Li2BiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298579.
Persson, Kristin, & Project, Materials. Materials Data on Li2BiO3 by Materials Project. United States. doi:10.17188/1298579.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Li2BiO3 by Materials Project". United States. doi:10.17188/1298579. https://www.osti.gov/servlets/purl/1298579. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1298579,
title = {Materials Data on Li2BiO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li2BiO3 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a linear geometry to two equivalent O atoms. Both Li–O bond lengths are 1.88 Å. In the second Li site, Li is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.93 Å) and one longer (1.95 Å) Li–O bond length. Bi is bonded to six O atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Bi–O bond distances ranging from 2.22–2.30 Å. There are two inequivalent O sites. In the first O site, O is bonded to two Li and two equivalent Bi atoms to form a mixture of corner and edge-sharing OLi2Bi2 tetrahedra. In the second O site, O is bonded in a distorted trigonal planar geometry to one Li and two equivalent Bi atoms.},
doi = {10.17188/1298579},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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