U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiSnPHO5 by Materials Project
Abstract
LiSnPHO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.18–2.72 Å. There are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in an octahedral geometry to two equivalent H1+ and four O2- atoms. Both Sn–H bond lengths are 2.09 Å. There are two shorter (2.26 Å) and two longer (2.50 Å) Sn–O bond lengths. In the second Sn3+ site, Sn3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sn–O bond distances ranging from 2.29–2.74 Å. P5+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.16–1.96 Å. H1+ is bonded in a single-bond geometry to one Sn3+ and one O2- atom. The H–O bond length is 1.42 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, two Sn3+, and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Sn3+ and one P5+ atom.more »
- Publication Date:
- Other Number(s):
- mp-753239
- 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; H-Li-O-P-Sn; LiSnPHO5; crystal structure
- OSTI Identifier:
- 1288957
- DOI:
- https://doi.org/10.17188/1288957
Citation Formats
Materials Data on LiSnPHO5 by Materials Project. United States: N. p., 2014.
Web. doi:10.17188/1288957.
Materials Data on LiSnPHO5 by Materials Project. United States. doi:https://doi.org/10.17188/1288957
2014.
"Materials Data on LiSnPHO5 by Materials Project". United States. doi:https://doi.org/10.17188/1288957. https://www.osti.gov/servlets/purl/1288957. Pub date:Thu Feb 13 23:00:00 EST 2014
@article{osti_1288957,
title = {Materials Data on LiSnPHO5 by Materials Project},
abstractNote = {LiSnPHO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.18–2.72 Å. There are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in an octahedral geometry to two equivalent H1+ and four O2- atoms. Both Sn–H bond lengths are 2.09 Å. There are two shorter (2.26 Å) and two longer (2.50 Å) Sn–O bond lengths. In the second Sn3+ site, Sn3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sn–O bond distances ranging from 2.29–2.74 Å. P5+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.16–1.96 Å. H1+ is bonded in a single-bond geometry to one Sn3+ and one O2- atom. The H–O bond length is 1.42 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, two Sn3+, and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Sn3+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, one Sn3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Li1+ and one Sn3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Li1+, one Sn3+, and one P5+ atom.},
doi = {10.17188/1288957},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}