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Title: Materials Data on Ag2PHO4 by Materials Project

Abstract

Ag2PHO4 crystallizes in the trigonal P3_112 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.25 Å) and two longer (2.68 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.31–2.80 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.57 Å) P–O bond length. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.20 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Ag1+, one P5+, and one H1+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-707138
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; Ag2PHO4; Ag-H-O-P
OSTI Identifier:
1286329
DOI:
10.17188/1286329

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ag2PHO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286329.
Persson, Kristin, & Project, Materials. Materials Data on Ag2PHO4 by Materials Project. United States. doi:10.17188/1286329.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ag2PHO4 by Materials Project". United States. doi:10.17188/1286329. https://www.osti.gov/servlets/purl/1286329. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1286329,
title = {Materials Data on Ag2PHO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ag2PHO4 crystallizes in the trigonal P3_112 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.25 Å) and two longer (2.68 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.31–2.80 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.57 Å) P–O bond length. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.20 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Ag1+, one P5+, and one H1+ atom.},
doi = {10.17188/1286329},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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