skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SrLiBO3 by Materials Project

Abstract

LiSrBO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to five O2- atoms to form distorted LiO5 trigonal bipyramids that share corners with five equivalent SrO7 pentagonal bipyramids, corners with two equivalent LiO5 trigonal bipyramids, edges with three equivalent SrO7 pentagonal bipyramids, and an edgeedge with one LiO5 trigonal bipyramid. There are a spread of Li–O bond distances ranging from 1.99–2.21 Å. Sr2+ is bonded to seven O2- atoms to form distorted SrO7 pentagonal bipyramids that share corners with two equivalent SrO7 pentagonal bipyramids, corners with five equivalent LiO5 trigonal bipyramids, edges with four equivalent SrO7 pentagonal bipyramids, and edges with three equivalent LiO5 trigonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.53–2.74 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.39 Å) and one longer (1.40 Å) B–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Li1+, two equivalent Sr2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, three equivalent Sr2+, and one B3+more » atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Li1+, two equivalent Sr2+, and one B3+ atom.« less

Publication Date:
Other Number(s):
mp-10814
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; SrLiBO3; B-Li-O-Sr
OSTI Identifier:
1187378
DOI:
10.17188/1187378

Citation Formats

The Materials Project. Materials Data on SrLiBO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187378.
The Materials Project. Materials Data on SrLiBO3 by Materials Project. United States. doi:10.17188/1187378.
The Materials Project. 2020. "Materials Data on SrLiBO3 by Materials Project". United States. doi:10.17188/1187378. https://www.osti.gov/servlets/purl/1187378. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1187378,
title = {Materials Data on SrLiBO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiSrBO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to five O2- atoms to form distorted LiO5 trigonal bipyramids that share corners with five equivalent SrO7 pentagonal bipyramids, corners with two equivalent LiO5 trigonal bipyramids, edges with three equivalent SrO7 pentagonal bipyramids, and an edgeedge with one LiO5 trigonal bipyramid. There are a spread of Li–O bond distances ranging from 1.99–2.21 Å. Sr2+ is bonded to seven O2- atoms to form distorted SrO7 pentagonal bipyramids that share corners with two equivalent SrO7 pentagonal bipyramids, corners with five equivalent LiO5 trigonal bipyramids, edges with four equivalent SrO7 pentagonal bipyramids, and edges with three equivalent LiO5 trigonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.53–2.74 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.39 Å) and one longer (1.40 Å) B–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Li1+, two equivalent Sr2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, three equivalent Sr2+, and one B3+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Li1+, two equivalent Sr2+, and one B3+ atom.},
doi = {10.17188/1187378},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: