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Title: Materials Data on Ag3P by Materials Project

Abstract

Ag3P is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to eight Ag1+ and four equivalent P3- atoms to form AgAg8P4 cuboctahedra that share corners with twelve equivalent AgAg8P4 cuboctahedra, edges with eight equivalent PAg12 cuboctahedra, edges with sixteen AgAg8P4 cuboctahedra, faces with four equivalent PAg12 cuboctahedra, and faces with fourteen AgAg8P4 cuboctahedra. There are four shorter (2.89 Å) and four longer (2.93 Å) Ag–Ag bond lengths. All Ag–P bond lengths are 2.93 Å. In the second Ag1+ site, Ag1+ is bonded to eight equivalent Ag1+ and four equivalent P3- atoms to form AgAg8P4 cuboctahedra that share corners with four equivalent AgAg8P4 cuboctahedra, corners with eight equivalent PAg12 cuboctahedra, edges with twenty-four AgAg8P4 cuboctahedra, faces with six equivalent PAg12 cuboctahedra, and faces with twelve AgAg8P4 cuboctahedra. All Ag–P bond lengths are 2.89 Å. P3- is bonded to twelve Ag1+ atoms to form PAg12 cuboctahedra that share corners with four equivalent PAg12 cuboctahedra, corners with eight equivalent AgAg8P4 cuboctahedra, edges with eight equivalent PAg12 cuboctahedra, edges with sixteen equivalent AgAg8P4 cuboctahedra, faces with four equivalent PAg12 cuboctahedra, and faces withmore » fourteen AgAg8P4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-985295
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; Ag3P; Ag-P
OSTI Identifier:
1272829
DOI:
10.17188/1272829

Citation Formats

The Materials Project. Materials Data on Ag3P by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272829.
The Materials Project. Materials Data on Ag3P by Materials Project. United States. doi:10.17188/1272829.
The Materials Project. 2020. "Materials Data on Ag3P by Materials Project". United States. doi:10.17188/1272829. https://www.osti.gov/servlets/purl/1272829. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1272829,
title = {Materials Data on Ag3P by Materials Project},
author = {The Materials Project},
abstractNote = {Ag3P is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to eight Ag1+ and four equivalent P3- atoms to form AgAg8P4 cuboctahedra that share corners with twelve equivalent AgAg8P4 cuboctahedra, edges with eight equivalent PAg12 cuboctahedra, edges with sixteen AgAg8P4 cuboctahedra, faces with four equivalent PAg12 cuboctahedra, and faces with fourteen AgAg8P4 cuboctahedra. There are four shorter (2.89 Å) and four longer (2.93 Å) Ag–Ag bond lengths. All Ag–P bond lengths are 2.93 Å. In the second Ag1+ site, Ag1+ is bonded to eight equivalent Ag1+ and four equivalent P3- atoms to form AgAg8P4 cuboctahedra that share corners with four equivalent AgAg8P4 cuboctahedra, corners with eight equivalent PAg12 cuboctahedra, edges with twenty-four AgAg8P4 cuboctahedra, faces with six equivalent PAg12 cuboctahedra, and faces with twelve AgAg8P4 cuboctahedra. All Ag–P bond lengths are 2.89 Å. P3- is bonded to twelve Ag1+ atoms to form PAg12 cuboctahedra that share corners with four equivalent PAg12 cuboctahedra, corners with eight equivalent AgAg8P4 cuboctahedra, edges with eight equivalent PAg12 cuboctahedra, edges with sixteen equivalent AgAg8P4 cuboctahedra, faces with four equivalent PAg12 cuboctahedra, and faces with fourteen AgAg8P4 cuboctahedra.},
doi = {10.17188/1272829},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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