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Title: Materials Data on LiB2SbO6 by Materials Project

Abstract

LiB2SbO6 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 a cornercorner with one SbO6 octahedra, edges with two equivalent SbO6 octahedra, and an edgeedge with one LiO5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 64°. There are a spread of Li–O bond distances ranging from 1.98–2.32 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 is two shorter (1.38 Å) and one longer (1.40 Å) B–O bond length. 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. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share a cornercorner with one LiO5 trigonal bipyramid and edges with two equivalent LiO5 trigonal bipyramids. There are a spread of Sb–O bond distances ranging from 1.96–2.14 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one B3+ and one Sb5+ atom.more » In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one B3+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one B3+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one B3+, and one Sb5+ atom. In the fifth O2- site, O2- is bonded in an L-shaped geometry to one B3+ and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one B3+, and one Sb5+ atom.« less

Publication Date:
Other Number(s):
mp-761862
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; LiB2SbO6; B-Li-O-Sb
OSTI Identifier:
1292321
DOI:
https://doi.org/10.17188/1292321

Citation Formats

The Materials Project. Materials Data on LiB2SbO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1292321.
The Materials Project. Materials Data on LiB2SbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1292321
The Materials Project. 2020. "Materials Data on LiB2SbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1292321. https://www.osti.gov/servlets/purl/1292321. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1292321,
title = {Materials Data on LiB2SbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiB2SbO6 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 a cornercorner with one SbO6 octahedra, edges with two equivalent SbO6 octahedra, and an edgeedge with one LiO5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 64°. There are a spread of Li–O bond distances ranging from 1.98–2.32 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 is two shorter (1.38 Å) and one longer (1.40 Å) B–O bond length. 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. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share a cornercorner with one LiO5 trigonal bipyramid and edges with two equivalent LiO5 trigonal bipyramids. There are a spread of Sb–O bond distances ranging from 1.96–2.14 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one B3+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one B3+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one B3+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one B3+, and one Sb5+ atom. In the fifth O2- site, O2- is bonded in an L-shaped geometry to one B3+ and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one B3+, and one Sb5+ atom.},
doi = {10.17188/1292321},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}