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Title: Materials Data on GaPt3 by Materials Project

Abstract

Pt3Ga crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded to eight Pt+0.67- and four equivalent Ga2+ atoms to form distorted PtGa4Pt8 cuboctahedra that share corners with twelve equivalent PtGa4Pt8 cuboctahedra, edges with eight equivalent GaPt12 cuboctahedra, faces with four equivalent GaPt12 cuboctahedra, and faces with six equivalent PtGa4Pt8 cuboctahedra. There are four shorter (2.80 Å) and four longer (2.81 Å) Pt–Pt bond lengths. All Pt–Ga bond lengths are 2.77 Å. In the second Pt+0.67- site, Pt+0.67- is bonded in a 12-coordinate geometry to eight Pt+0.67- and four equivalent Ga2+ atoms. All Pt–Pt bond lengths are 2.79 Å. There are two shorter (2.64 Å) and two longer (2.91 Å) Pt–Ga bond lengths. In the third Pt+0.67- site, Pt+0.67- is bonded in a distorted water-like geometry to four equivalent Pt+0.67- and four equivalent Ga2+ atoms. There are two shorter (2.62 Å) and two longer (3.04 Å) Pt–Ga bond lengths. Ga2+ is bonded to twelve Pt+0.67- atoms to form distorted GaPt12 cuboctahedra that share corners with twelve equivalent GaPt12 cuboctahedra, edges with eight equivalent PtGa4Pt8 cuboctahedra, faces with four equivalent PtGa4Pt8 cuboctahedra, and faces with sixmore » equivalent GaPt12 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-623066
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; GaPt3; Ga-Pt
OSTI Identifier:
1278179
DOI:
10.17188/1278179

Citation Formats

The Materials Project. Materials Data on GaPt3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278179.
The Materials Project. Materials Data on GaPt3 by Materials Project. United States. doi:10.17188/1278179.
The Materials Project. 2020. "Materials Data on GaPt3 by Materials Project". United States. doi:10.17188/1278179. https://www.osti.gov/servlets/purl/1278179. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1278179,
title = {Materials Data on GaPt3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pt3Ga crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded to eight Pt+0.67- and four equivalent Ga2+ atoms to form distorted PtGa4Pt8 cuboctahedra that share corners with twelve equivalent PtGa4Pt8 cuboctahedra, edges with eight equivalent GaPt12 cuboctahedra, faces with four equivalent GaPt12 cuboctahedra, and faces with six equivalent PtGa4Pt8 cuboctahedra. There are four shorter (2.80 Å) and four longer (2.81 Å) Pt–Pt bond lengths. All Pt–Ga bond lengths are 2.77 Å. In the second Pt+0.67- site, Pt+0.67- is bonded in a 12-coordinate geometry to eight Pt+0.67- and four equivalent Ga2+ atoms. All Pt–Pt bond lengths are 2.79 Å. There are two shorter (2.64 Å) and two longer (2.91 Å) Pt–Ga bond lengths. In the third Pt+0.67- site, Pt+0.67- is bonded in a distorted water-like geometry to four equivalent Pt+0.67- and four equivalent Ga2+ atoms. There are two shorter (2.62 Å) and two longer (3.04 Å) Pt–Ga bond lengths. Ga2+ is bonded to twelve Pt+0.67- atoms to form distorted GaPt12 cuboctahedra that share corners with twelve equivalent GaPt12 cuboctahedra, edges with eight equivalent PtGa4Pt8 cuboctahedra, faces with four equivalent PtGa4Pt8 cuboctahedra, and faces with six equivalent GaPt12 cuboctahedra.},
doi = {10.17188/1278179},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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