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Title: Materials Data on AgPt4 by Materials Project

Abstract

Pt4Ag crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are six inequivalent Pt+0.25- sites. In the first Pt+0.25- site, Pt+0.25- is bonded to nine Pt+0.25- and three equivalent Ag1+ atoms to form PtAg3Pt9 cuboctahedra that share corners with twelve PtAg3Pt9 cuboctahedra, edges with six equivalent AgAg6Pt6 cuboctahedra, edges with eighteen PtAg3Pt9 cuboctahedra, faces with six equivalent AgAg6Pt6 cuboctahedra, and faces with twelve PtAg3Pt9 cuboctahedra. There are six shorter (2.81 Å) and three longer (2.83 Å) Pt–Pt bond lengths. All Pt–Ag bond lengths are 2.89 Å. In the second Pt+0.25- site, Pt+0.25- is bonded to twelve Pt+0.25- atoms to form PtPt12 cuboctahedra that share corners with three equivalent AgAg6Pt6 cuboctahedra, corners with nine PtAg3Pt9 cuboctahedra, edges with three equivalent AgAg6Pt6 cuboctahedra, edges with twenty-one PtAg3Pt9 cuboctahedra, and faces with eighteen PtAg3Pt9 cuboctahedra. There are six shorter (2.81 Å) and three longer (2.83 Å) Pt–Pt bond lengths. In the third Pt+0.25- site, Pt+0.25- is bonded to twelve Pt+0.25- atoms to form PtPt12 cuboctahedra that share corners with three equivalent AgAg6Pt6 cuboctahedra, corners with nine PtAg3Pt9 cuboctahedra, edges with three equivalent AgAg6Pt6 cuboctahedra, edges with twenty-one PtAg3Pt9 cuboctahedra, and faces with eighteen PtAg3Pt9 cuboctahedra. There are six shorter (2.81more » Å) and three longer (2.83 Å) Pt–Pt bond lengths. In the fourth Pt+0.25- site, Pt+0.25- is bonded to twelve Pt+0.25- atoms to form PtPt12 cuboctahedra that share corners with three equivalent AgAg6Pt6 cuboctahedra, corners with nine PtPt12 cuboctahedra, edges with three equivalent AgAg6Pt6 cuboctahedra, edges with twenty-one PtPt12 cuboctahedra, and faces with eighteen PtPt12 cuboctahedra. There are six shorter (2.81 Å) and six longer (2.83 Å) Pt–Pt bond lengths. In the fifth Pt+0.25- site, Pt+0.25- is bonded to twelve Pt+0.25- atoms to form PtPt12 cuboctahedra that share corners with three equivalent AgAg6Pt6 cuboctahedra, corners with nine PtPt12 cuboctahedra, edges with three equivalent AgAg6Pt6 cuboctahedra, edges with twenty-one PtPt12 cuboctahedra, and faces with eighteen PtPt12 cuboctahedra. There are six shorter (2.81 Å) and three longer (2.83 Å) Pt–Pt bond lengths. In the sixth Pt+0.25- site, Pt+0.25- is bonded to twelve Pt+0.25- atoms to form PtPt12 cuboctahedra that share corners with three equivalent AgAg6Pt6 cuboctahedra, corners with nine PtAg3Pt9 cuboctahedra, edges with three equivalent AgAg6Pt6 cuboctahedra, edges with twenty-one PtPt12 cuboctahedra, and faces with eighteen PtPt12 cuboctahedra. There are six shorter (2.81 Å) and six longer (2.83 Å) Pt–Pt bond lengths. Ag1+ is bonded to six equivalent Pt+0.25- and six equivalent Ag1+ atoms to form AgAg6Pt6 cuboctahedra that share corners with six PtPt12 cuboctahedra, corners with six equivalent AgAg6Pt6 cuboctahedra, edges with six equivalent AgAg6Pt6 cuboctahedra, edges with eighteen PtPt12 cuboctahedra, faces with six equivalent AgAg6Pt6 cuboctahedra, and faces with twelve equivalent PtAg3Pt9 cuboctahedra. All Ag–Ag bond lengths are 2.81 Å.« less

Publication Date:
Other Number(s):
mp-1229032
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; AgPt4; Ag-Pt
OSTI Identifier:
1666527
DOI:
https://doi.org/10.17188/1666527

Citation Formats

The Materials Project. Materials Data on AgPt4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1666527.
The Materials Project. Materials Data on AgPt4 by Materials Project. United States. doi:https://doi.org/10.17188/1666527
The Materials Project. 2020. "Materials Data on AgPt4 by Materials Project". United States. doi:https://doi.org/10.17188/1666527. https://www.osti.gov/servlets/purl/1666527. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1666527,
title = {Materials Data on AgPt4 by Materials Project},
author = {The Materials Project},
abstractNote = {Pt4Ag crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are six inequivalent Pt+0.25- sites. In the first Pt+0.25- site, Pt+0.25- is bonded to nine Pt+0.25- and three equivalent Ag1+ atoms to form PtAg3Pt9 cuboctahedra that share corners with twelve PtAg3Pt9 cuboctahedra, edges with six equivalent AgAg6Pt6 cuboctahedra, edges with eighteen PtAg3Pt9 cuboctahedra, faces with six equivalent AgAg6Pt6 cuboctahedra, and faces with twelve PtAg3Pt9 cuboctahedra. There are six shorter (2.81 Å) and three longer (2.83 Å) Pt–Pt bond lengths. All Pt–Ag bond lengths are 2.89 Å. In the second Pt+0.25- site, Pt+0.25- is bonded to twelve Pt+0.25- atoms to form PtPt12 cuboctahedra that share corners with three equivalent AgAg6Pt6 cuboctahedra, corners with nine PtAg3Pt9 cuboctahedra, edges with three equivalent AgAg6Pt6 cuboctahedra, edges with twenty-one PtAg3Pt9 cuboctahedra, and faces with eighteen PtAg3Pt9 cuboctahedra. There are six shorter (2.81 Å) and three longer (2.83 Å) Pt–Pt bond lengths. In the third Pt+0.25- site, Pt+0.25- is bonded to twelve Pt+0.25- atoms to form PtPt12 cuboctahedra that share corners with three equivalent AgAg6Pt6 cuboctahedra, corners with nine PtAg3Pt9 cuboctahedra, edges with three equivalent AgAg6Pt6 cuboctahedra, edges with twenty-one PtAg3Pt9 cuboctahedra, and faces with eighteen PtAg3Pt9 cuboctahedra. There are six shorter (2.81 Å) and three longer (2.83 Å) Pt–Pt bond lengths. In the fourth Pt+0.25- site, Pt+0.25- is bonded to twelve Pt+0.25- atoms to form PtPt12 cuboctahedra that share corners with three equivalent AgAg6Pt6 cuboctahedra, corners with nine PtPt12 cuboctahedra, edges with three equivalent AgAg6Pt6 cuboctahedra, edges with twenty-one PtPt12 cuboctahedra, and faces with eighteen PtPt12 cuboctahedra. There are six shorter (2.81 Å) and six longer (2.83 Å) Pt–Pt bond lengths. In the fifth Pt+0.25- site, Pt+0.25- is bonded to twelve Pt+0.25- atoms to form PtPt12 cuboctahedra that share corners with three equivalent AgAg6Pt6 cuboctahedra, corners with nine PtPt12 cuboctahedra, edges with three equivalent AgAg6Pt6 cuboctahedra, edges with twenty-one PtPt12 cuboctahedra, and faces with eighteen PtPt12 cuboctahedra. There are six shorter (2.81 Å) and three longer (2.83 Å) Pt–Pt bond lengths. In the sixth Pt+0.25- site, Pt+0.25- is bonded to twelve Pt+0.25- atoms to form PtPt12 cuboctahedra that share corners with three equivalent AgAg6Pt6 cuboctahedra, corners with nine PtAg3Pt9 cuboctahedra, edges with three equivalent AgAg6Pt6 cuboctahedra, edges with twenty-one PtPt12 cuboctahedra, and faces with eighteen PtPt12 cuboctahedra. There are six shorter (2.81 Å) and six longer (2.83 Å) Pt–Pt bond lengths. Ag1+ is bonded to six equivalent Pt+0.25- and six equivalent Ag1+ atoms to form AgAg6Pt6 cuboctahedra that share corners with six PtPt12 cuboctahedra, corners with six equivalent AgAg6Pt6 cuboctahedra, edges with six equivalent AgAg6Pt6 cuboctahedra, edges with eighteen PtPt12 cuboctahedra, faces with six equivalent AgAg6Pt6 cuboctahedra, and faces with twelve equivalent PtAg3Pt9 cuboctahedra. All Ag–Ag bond lengths are 2.81 Å.},
doi = {10.17188/1666527},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}