U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiSn2(PO4)3 by Materials Project
Abstract
LiSn2P3O12 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two water molecules and one LiSn2P3O11 framework. In the LiSn2P3O11 framework, Li1+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.99–2.74 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a distorted linear geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 1.28–2.48 Å. In the second Sn4+ site, Sn4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 1.85–2.14 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.57–1.97 Å. In the second P5+ site, P5+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.11–1.93 Å. In the third P5+ site, P5+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of P–O bond distances rangingmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-554917
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; LiSn2(PO4)3; Li-O-P-Sn
- OSTI Identifier:
- 1268251
- DOI:
- https://doi.org/10.17188/1268251
Citation Formats
The Materials Project. Materials Data on LiSn2(PO4)3 by Materials Project. United States: N. p., 2014.
Web. doi:10.17188/1268251.
The Materials Project. Materials Data on LiSn2(PO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1268251
The Materials Project. 2014.
"Materials Data on LiSn2(PO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1268251. https://www.osti.gov/servlets/purl/1268251. Pub date:Thu Mar 06 00:00:00 EST 2014
@article{osti_1268251,
title = {Materials Data on LiSn2(PO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiSn2P3O12 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two water molecules and one LiSn2P3O11 framework. In the LiSn2P3O11 framework, Li1+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.99–2.74 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a distorted linear geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 1.28–2.48 Å. In the second Sn4+ site, Sn4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 1.85–2.14 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.57–1.97 Å. In the second P5+ site, P5+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.11–1.93 Å. In the third P5+ site, P5+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.51–1.60 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Sn4+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, one Sn4+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted L-shaped geometry to one Li1+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Sn4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Li1+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Li1+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Sn4+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one Sn4+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to one Sn4+ and one P5+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Li1+ atom.},
doi = {10.17188/1268251},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Mar 06 00:00:00 EST 2014},
month = {Thu Mar 06 00:00:00 EST 2014}
}