U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SnPH5NO4F by Materials Project
Abstract
NH4SnPHO4F crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four ammonium molecules and two SnPHO4F sheets oriented in the (0, 0, 1) direction. In each SnPHO4F sheet, Sn2+ is bonded in a distorted T-shaped geometry to two equivalent O2- and one F1- atom. Both Sn–O bond lengths are 2.16 Å. The Sn–F bond length is 2.11 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.60 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.59 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to 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 single-bond geometry to one Sn2+ atom.
- Publication Date:
- Other Number(s):
- mp-698068
- 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-N-O-P-Sn; SnPH5NO4F; crystal structure
- OSTI Identifier:
- 1285282
- DOI:
- https://doi.org/10.17188/1285282
Citation Formats
Materials Data on SnPH5NO4F by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1285282.
Materials Data on SnPH5NO4F by Materials Project. United States. doi:https://doi.org/10.17188/1285282
2020.
"Materials Data on SnPH5NO4F by Materials Project". United States. doi:https://doi.org/10.17188/1285282. https://www.osti.gov/servlets/purl/1285282. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1285282,
title = {Materials Data on SnPH5NO4F by Materials Project},
abstractNote = {NH4SnPHO4F crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four ammonium molecules and two SnPHO4F sheets oriented in the (0, 0, 1) direction. In each SnPHO4F sheet, Sn2+ is bonded in a distorted T-shaped geometry to two equivalent O2- and one F1- atom. Both Sn–O bond lengths are 2.16 Å. The Sn–F bond length is 2.11 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.60 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.59 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to 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 single-bond geometry to one Sn2+ atom.},
doi = {10.17188/1285282},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}