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

Title: Materials Data on Ag3P6H12N3O19 by Materials Project

Abstract

(Ag(PO3)2)6(NH4)6O2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional and consists of eighteen ammonium molecules, six water molecules, and one Ag(PO3)2 framework. In the Ag(PO3)2 framework, Ag+1.67+ is bonded to five O2- atoms to form distorted AgO5 trigonal bipyramids that share corners with five PO4 tetrahedra and an edgeedge with one AgO5 trigonal bipyramid. There are a spread of Ag–O bond distances ranging from 2.37–2.65 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent PO4 tetrahedra and corners with two equivalent AgO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent PO4 tetrahedra and corners with three equivalent AgO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a distorted bentmore » 120 degrees geometry to one Ag+1.67+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ag+1.67+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Ag+1.67+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Ag+1.67+ and one P5+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-695967
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; Ag3P6H12N3O19; Ag-H-N-O-P
OSTI Identifier:
1284927
DOI:
10.17188/1284927

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ag3P6H12N3O19 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284927.
Persson, Kristin, & Project, Materials. Materials Data on Ag3P6H12N3O19 by Materials Project. United States. doi:10.17188/1284927.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ag3P6H12N3O19 by Materials Project". United States. doi:10.17188/1284927. https://www.osti.gov/servlets/purl/1284927. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1284927,
title = {Materials Data on Ag3P6H12N3O19 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(Ag(PO3)2)6(NH4)6O2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional and consists of eighteen ammonium molecules, six water molecules, and one Ag(PO3)2 framework. In the Ag(PO3)2 framework, Ag+1.67+ is bonded to five O2- atoms to form distorted AgO5 trigonal bipyramids that share corners with five PO4 tetrahedra and an edgeedge with one AgO5 trigonal bipyramid. There are a spread of Ag–O bond distances ranging from 2.37–2.65 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent PO4 tetrahedra and corners with two equivalent AgO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent PO4 tetrahedra and corners with three equivalent AgO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag+1.67+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ag+1.67+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Ag+1.67+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Ag+1.67+ and one P5+ atom.},
doi = {10.17188/1284927},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: