U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaSnPHO4F by Materials Project
Abstract
NaSnPHO4F crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two NaSnPHO4F sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a 1-coordinate geometry to five O2- and four equivalent F1- atoms. There are a spread of Na–O bond distances ranging from 2.53–2.55 Å. There are a spread of Na–F bond distances ranging from 2.21–2.95 Å. Sn2+ is bonded in a 3-coordinate geometry to two equivalent O2- and one F1- atom. Both Sn–O bond lengths are 2.21 Å. The Sn–F bond length is 2.06 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Sn2+, and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to onemore »
- Publication Date:
- Other Number(s):
- mp-766448
- 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; F-H-Na-O-P-Sn; NaSnPHO4F; crystal structure
- OSTI Identifier:
- 1296882
- DOI:
- https://doi.org/10.17188/1296882
Citation Formats
Materials Data on NaSnPHO4F by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1296882.
Materials Data on NaSnPHO4F by Materials Project. United States. doi:https://doi.org/10.17188/1296882
2020.
"Materials Data on NaSnPHO4F by Materials Project". United States. doi:https://doi.org/10.17188/1296882. https://www.osti.gov/servlets/purl/1296882. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1296882,
title = {Materials Data on NaSnPHO4F by Materials Project},
abstractNote = {NaSnPHO4F crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two NaSnPHO4F sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a 1-coordinate geometry to five O2- and four equivalent F1- atoms. There are a spread of Na–O bond distances ranging from 2.53–2.55 Å. There are a spread of Na–F bond distances ranging from 2.21–2.95 Å. Sn2+ is bonded in a 3-coordinate geometry to two equivalent O2- and one F1- atom. Both Sn–O bond lengths are 2.21 Å. The Sn–F bond length is 2.06 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Sn2+, and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. F1- is bonded in a 2-coordinate geometry to four equivalent Na1+ and one Sn2+ atom.},
doi = {10.17188/1296882},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}