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

Abstract

LiNb(BO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.98–2.09 Å. Nb5+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.94–2.25 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.42 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.39 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nb5+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Nb5+, and one B3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Nb5+, and one B3+ atom. In the fourth O2-more » site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Nb5+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nb5+ and one B3+ atom. In the sixth O2- site, O2- is bonded in an L-shaped geometry to one Nb5+ and one B3+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-761857
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiNb(BO3)2; B-Li-Nb-O
OSTI Identifier:
1292320
DOI:
https://doi.org/10.17188/1292320

Citation Formats

The Materials Project. Materials Data on LiNb(BO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1292320.
The Materials Project. Materials Data on LiNb(BO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1292320
The Materials Project. 2020. "Materials Data on LiNb(BO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1292320. https://www.osti.gov/servlets/purl/1292320. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1292320,
title = {Materials Data on LiNb(BO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiNb(BO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.98–2.09 Å. Nb5+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.94–2.25 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.42 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.39 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nb5+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Nb5+, and one B3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Nb5+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Nb5+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nb5+ and one B3+ atom. In the sixth O2- site, O2- is bonded in an L-shaped geometry to one Nb5+ and one B3+ atom.},
doi = {10.17188/1292320},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}