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Title: Materials Data on Li2BSeO4 by Materials Project

Abstract

Li2BSeO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Li2BSeO4 sheet oriented in the (1, 0, 0) direction. there are two inequivalent Li sites. In the first Li site, Li is bonded to four O atoms to form a mixture of edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.91–2.23 Å. In the second Li site, Li is bonded to four O atoms to form a mixture of edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.05 Å. B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.35 Å) and one longer (1.50 Å) B–O bond length. Se is bonded in a water-like geometry to two O atoms. There is one shorter (1.69 Å) and one longer (1.83 Å) Se–O bond length. There are four inequivalent O sites. In the first O site, O is bonded to three Li and one B atom to form distorted corner-sharing OLi3B tetrahedra. In the second O site, O is bonded in a distorted trigonal planar geometry to two Li and one B atom. In themore » third O site, O is bonded in a trigonal planar geometry to one Li, one B, and one Se atom. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to two Li and one Se atom.« less

Publication Date:
Other Number(s):
mp-770832
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; Li2BSeO4; B-Li-O-Se
OSTI Identifier:
1300114
DOI:
10.17188/1300114

Citation Formats

The Materials Project. Materials Data on Li2BSeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1300114.
The Materials Project. Materials Data on Li2BSeO4 by Materials Project. United States. doi:10.17188/1300114.
The Materials Project. 2020. "Materials Data on Li2BSeO4 by Materials Project". United States. doi:10.17188/1300114. https://www.osti.gov/servlets/purl/1300114. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1300114,
title = {Materials Data on Li2BSeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2BSeO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Li2BSeO4 sheet oriented in the (1, 0, 0) direction. there are two inequivalent Li sites. In the first Li site, Li is bonded to four O atoms to form a mixture of edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.91–2.23 Å. In the second Li site, Li is bonded to four O atoms to form a mixture of edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.05 Å. B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.35 Å) and one longer (1.50 Å) B–O bond length. Se is bonded in a water-like geometry to two O atoms. There is one shorter (1.69 Å) and one longer (1.83 Å) Se–O bond length. There are four inequivalent O sites. In the first O site, O is bonded to three Li and one B atom to form distorted corner-sharing OLi3B tetrahedra. In the second O site, O is bonded in a distorted trigonal planar geometry to two Li and one B atom. In the third O site, O is bonded in a trigonal planar geometry to one Li, one B, and one Se atom. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to two Li and one Se atom.},
doi = {10.17188/1300114},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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