Materials Data on Sn3PO4F3 by Materials Project
Abstract
Sn3F3PO4 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to two O2- and two equivalent F1- atoms. There are one shorter (2.15 Å) and one longer (2.59 Å) Sn–O bond lengths. There are one shorter (2.12 Å) and one longer (2.33 Å) Sn–F bond lengths. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.55 Å) and one longer (1.57 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sn2+ and one P5+ atom. F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sn2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-546757
- 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; Sn3PO4F3; F-O-P-Sn
- OSTI Identifier:
- 1267249
- DOI:
- https://doi.org/10.17188/1267249
Citation Formats
The Materials Project. Materials Data on Sn3PO4F3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267249.
The Materials Project. Materials Data on Sn3PO4F3 by Materials Project. United States. doi:https://doi.org/10.17188/1267249
The Materials Project. 2020.
"Materials Data on Sn3PO4F3 by Materials Project". United States. doi:https://doi.org/10.17188/1267249. https://www.osti.gov/servlets/purl/1267249. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267249,
title = {Materials Data on Sn3PO4F3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sn3F3PO4 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to two O2- and two equivalent F1- atoms. There are one shorter (2.15 Å) and one longer (2.59 Å) Sn–O bond lengths. There are one shorter (2.12 Å) and one longer (2.33 Å) Sn–F bond lengths. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.55 Å) and one longer (1.57 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sn2+ and one P5+ atom. F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sn2+ atoms.},
doi = {10.17188/1267249},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}