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

Title: Materials Data on Ag5PSeO4 by Materials Project

Abstract

Ag5PSeO4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent Se2- and two equivalent O2- atoms. There are one shorter (2.60 Å) and one longer (3.13 Å) Ag–Se bond lengths. Both Ag–O bond lengths are 2.38 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.48 Å. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.57 Å. Se2- is bonded in a 8-coordinate geometry to eight equivalent Ag1+ atoms. O2- is bonded in a distorted single-bond geometry to three Ag1+ and one P5+ atom.

Publication Date:
Other Number(s):
mp-1191916
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; Ag5PSeO4; Ag-O-P-Se
OSTI Identifier:
1656206
DOI:
https://doi.org/10.17188/1656206

Citation Formats

The Materials Project. Materials Data on Ag5PSeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656206.
The Materials Project. Materials Data on Ag5PSeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1656206
The Materials Project. 2020. "Materials Data on Ag5PSeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1656206. https://www.osti.gov/servlets/purl/1656206. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1656206,
title = {Materials Data on Ag5PSeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag5PSeO4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent Se2- and two equivalent O2- atoms. There are one shorter (2.60 Å) and one longer (3.13 Å) Ag–Se bond lengths. Both Ag–O bond lengths are 2.38 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.48 Å. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.57 Å. Se2- is bonded in a 8-coordinate geometry to eight equivalent Ag1+ atoms. O2- is bonded in a distorted single-bond geometry to three Ag1+ and one P5+ atom.},
doi = {10.17188/1656206},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}