U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Sn(BO3)2 by Materials Project
Abstract
Li2Sn(BO3)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.91–2.11 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 trigonal pyramids that share corners with three equivalent SnO5 trigonal bipyramids. There are a spread of Li–O bond distances ranging from 1.89–2.10 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 1.33–1.43 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 1.38–1.40 Å. Sn4+ is bonded to five O2- atoms to form distorted SnO5 trigonal bipyramids that share corners with three equivalent LiO4 trigonal pyramids. There are a spread of Sn–O bond distances ranging from 2.00–2.22 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in amore »
- Publication Date:
- Other Number(s):
- mp-755757
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; B-Li-O-Sn; Li2Sn(BO3)2; crystal structure
- OSTI Identifier:
- 1290179
- DOI:
- https://doi.org/10.17188/1290179
Citation Formats
Materials Data on Li2Sn(BO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290179.
Materials Data on Li2Sn(BO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1290179
2020.
"Materials Data on Li2Sn(BO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1290179. https://www.osti.gov/servlets/purl/1290179. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1290179,
title = {Materials Data on Li2Sn(BO3)2 by Materials Project},
abstractNote = {Li2Sn(BO3)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.91–2.11 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 trigonal pyramids that share corners with three equivalent SnO5 trigonal bipyramids. There are a spread of Li–O bond distances ranging from 1.89–2.10 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 1.33–1.43 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 1.38–1.40 Å. Sn4+ is bonded to five O2- atoms to form distorted SnO5 trigonal bipyramids that share corners with three equivalent LiO4 trigonal pyramids. There are a spread of Sn–O bond distances ranging from 2.00–2.22 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one B3+, and one Sn4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one B3+, and one Sn4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one B3+, and one Sn4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one B3+, and one Sn4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Li1+ and one B3+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one B3+, and one Sn4+ atom.},
doi = {10.17188/1290179},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}