skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-698068
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SnPH5NO4F; F-H-N-O-P-Sn
OSTI Identifier:
1285282
DOI:
10.17188/1285282

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SnPH5NO4F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285282.
Persson, Kristin, & Project, Materials. Materials Data on SnPH5NO4F by Materials Project. United States. doi:10.17188/1285282.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SnPH5NO4F by Materials Project". United States. doi:10.17188/1285282. https://www.osti.gov/servlets/purl/1285282. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1285282,
title = {Materials Data on SnPH5NO4F by Materials Project},
author = {Persson, Kristin and Project, Materials},
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}
}

Dataset:

Save / Share: