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Title: Materials Data on Li2Bi(BO3)2 by Materials Project

Abstract

Li2Bi(BO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four O atoms to form distorted corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.92–2.06 Å. In the second Li site, Li is bonded to four O atoms to form distorted corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.90–2.01 Å. There are two inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.37–1.40 Å. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.38 Å) and one longer (1.39 Å) B–O bond length. Bi is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.62 Å. There are six inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Li, one B, and one Bi atom. In the second O site, Omore » is bonded in a 2-coordinate geometry to one Li, one B, and one Bi atom. In the third O site, O is bonded in a 4-coordinate geometry to two Li, one B, and one Bi atom. In the fourth O site, O is bonded in a 4-coordinate geometry to one Li, one B, and two equivalent Bi atoms. In the fifth O site, O is bonded in a 4-coordinate geometry to two Li, one B, and one Bi atom. In the sixth O site, O is bonded in a distorted linear geometry to one Li, one B, and two equivalent Bi atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-768437
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; Li2Bi(BO3)2; B-Bi-Li-O
OSTI Identifier:
1298419
DOI:
10.17188/1298419

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Li2Bi(BO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298419.
Persson, Kristin, & Project, Materials. Materials Data on Li2Bi(BO3)2 by Materials Project. United States. doi:10.17188/1298419.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Li2Bi(BO3)2 by Materials Project". United States. doi:10.17188/1298419. https://www.osti.gov/servlets/purl/1298419. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1298419,
title = {Materials Data on Li2Bi(BO3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li2Bi(BO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four O atoms to form distorted corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.92–2.06 Å. In the second Li site, Li is bonded to four O atoms to form distorted corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.90–2.01 Å. There are two inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.37–1.40 Å. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.38 Å) and one longer (1.39 Å) B–O bond length. Bi is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.62 Å. There are six inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Li, one B, and one Bi atom. In the second O site, O is bonded in a 2-coordinate geometry to one Li, one B, and one Bi atom. In the third O site, O is bonded in a 4-coordinate geometry to two Li, one B, and one Bi atom. In the fourth O site, O is bonded in a 4-coordinate geometry to one Li, one B, and two equivalent Bi atoms. In the fifth O site, O is bonded in a 4-coordinate geometry to two Li, one B, and one Bi atom. In the sixth O site, O is bonded in a distorted linear geometry to one Li, one B, and two equivalent Bi atoms.},
doi = {10.17188/1298419},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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