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Title: Materials Data on Li2SnBO4 by Materials Project

Abstract

Li2BSnO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent LiO4 tetrahedra, a cornercorner with one SnO4 trigonal pyramid, corners with two equivalent LiO4 trigonal pyramids, an edgeedge with one LiO4 tetrahedra, and an edgeedge with one SnO4 trigonal pyramid. There are a spread of Li–O bond distances ranging from 1.92–2.36 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 trigonal pyramids, corners with four equivalent SnO4 trigonal pyramids, and an edgeedge with one LiO4 trigonal pyramid. There are a spread of Li–O bond distances ranging from 1.93–2.13 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.43 Å. Sn3+ is bonded to four O2- atoms to form distorted SnO4 trigonal pyramids that share corners with four equivalent LiO4 tetrahedra, a cornercorner with one LiO4 trigonal pyramid, corners with two equivalent SnO4 trigonal pyramids, and an edgeedge with onemore » LiO4 trigonal pyramid. There are a spread of Sn–O bond distances ranging from 2.01–2.34 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+ and one B3+ atom to form corner-sharing OLi3B tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one B3+, and one Sn3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one B3+, and one Sn3+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+ and two equivalent Sn3+ atoms.« less

Publication Date:
Other Number(s):
mp-770833
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; Li2SnBO4; B-Li-O-Sn
OSTI Identifier:
1300115
DOI:
10.17188/1300115

Citation Formats

The Materials Project. Materials Data on Li2SnBO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1300115.
The Materials Project. Materials Data on Li2SnBO4 by Materials Project. United States. doi:10.17188/1300115.
The Materials Project. 2020. "Materials Data on Li2SnBO4 by Materials Project". United States. doi:10.17188/1300115. https://www.osti.gov/servlets/purl/1300115. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1300115,
title = {Materials Data on Li2SnBO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2BSnO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent LiO4 tetrahedra, a cornercorner with one SnO4 trigonal pyramid, corners with two equivalent LiO4 trigonal pyramids, an edgeedge with one LiO4 tetrahedra, and an edgeedge with one SnO4 trigonal pyramid. There are a spread of Li–O bond distances ranging from 1.92–2.36 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 trigonal pyramids, corners with four equivalent SnO4 trigonal pyramids, and an edgeedge with one LiO4 trigonal pyramid. There are a spread of Li–O bond distances ranging from 1.93–2.13 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.43 Å. Sn3+ is bonded to four O2- atoms to form distorted SnO4 trigonal pyramids that share corners with four equivalent LiO4 tetrahedra, a cornercorner with one LiO4 trigonal pyramid, corners with two equivalent SnO4 trigonal pyramids, and an edgeedge with one LiO4 trigonal pyramid. There are a spread of Sn–O bond distances ranging from 2.01–2.34 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+ and one B3+ atom to form corner-sharing OLi3B tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one B3+, and one Sn3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one B3+, and one Sn3+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+ and two equivalent Sn3+ atoms.},
doi = {10.17188/1300115},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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