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Title: Materials Data on AgPPt5 by Materials Project

Abstract

Pt5AgP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded to eight equivalent Pt+1.20- and four equivalent Ag1+ atoms to form distorted PtAg4Pt8 cuboctahedra that share corners with four equivalent PtAg4Pt8 cuboctahedra, faces with four equivalent PtAg4Pt8 cuboctahedra, and faces with four equivalent AgPt12 cuboctahedra. All Pt–Pt bond lengths are 2.90 Å. All Pt–Ag bond lengths are 2.80 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a 4-coordinate geometry to seven Pt+1.20-, two equivalent Ag1+, and two equivalent P5+ atoms. There are four shorter (2.80 Å) and one longer (2.89 Å) Pt–Pt bond lengths. Both Pt–Ag bond lengths are 2.90 Å. Both Pt–P bond lengths are 2.45 Å. Ag1+ is bonded to twelve Pt+1.20- atoms to form AgPt12 cuboctahedra that share corners with four equivalent AgPt12 cuboctahedra, faces with four equivalent PtAg4Pt8 cuboctahedra, and faces with four equivalent AgPt12 cuboctahedra. P5+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1025385
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; AgPPt5; Ag-P-Pt
OSTI Identifier:
1355499
DOI:
https://doi.org/10.17188/1355499

Citation Formats

The Materials Project. Materials Data on AgPPt5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355499.
The Materials Project. Materials Data on AgPPt5 by Materials Project. United States. doi:https://doi.org/10.17188/1355499
The Materials Project. 2020. "Materials Data on AgPPt5 by Materials Project". United States. doi:https://doi.org/10.17188/1355499. https://www.osti.gov/servlets/purl/1355499. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1355499,
title = {Materials Data on AgPPt5 by Materials Project},
author = {The Materials Project},
abstractNote = {Pt5AgP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded to eight equivalent Pt+1.20- and four equivalent Ag1+ atoms to form distorted PtAg4Pt8 cuboctahedra that share corners with four equivalent PtAg4Pt8 cuboctahedra, faces with four equivalent PtAg4Pt8 cuboctahedra, and faces with four equivalent AgPt12 cuboctahedra. All Pt–Pt bond lengths are 2.90 Å. All Pt–Ag bond lengths are 2.80 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a 4-coordinate geometry to seven Pt+1.20-, two equivalent Ag1+, and two equivalent P5+ atoms. There are four shorter (2.80 Å) and one longer (2.89 Å) Pt–Pt bond lengths. Both Pt–Ag bond lengths are 2.90 Å. Both Pt–P bond lengths are 2.45 Å. Ag1+ is bonded to twelve Pt+1.20- atoms to form AgPt12 cuboctahedra that share corners with four equivalent AgPt12 cuboctahedra, faces with four equivalent PtAg4Pt8 cuboctahedra, and faces with four equivalent AgPt12 cuboctahedra. P5+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.},
doi = {10.17188/1355499},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}