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Title: Materials Data on GaPPt5 by Materials Project

Abstract

Pt5GaP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 2-coordinate geometry to seven Pt, two equivalent Ga3+, and two equivalent P3- atoms. There are a spread of Pt–Pt bond distances ranging from 2.80–2.90 Å. Both Pt–Ga bond lengths are 2.82 Å. Both Pt–P bond lengths are 2.45 Å. In the second Pt site, Pt is bonded to eight equivalent Pt and four equivalent Ga3+ atoms to form distorted PtGa4Pt8 cuboctahedra that share corners with four equivalent PtGa4Pt8 cuboctahedra, faces with four equivalent PtGa4Pt8 cuboctahedra, and faces with four equivalent GaPt12 cuboctahedra. All Pt–Ga bond lengths are 2.80 Å. Ga3+ is bonded to twelve Pt atoms to form GaPt12 cuboctahedra that share corners with four equivalent GaPt12 cuboctahedra, faces with four equivalent PtGa4Pt8 cuboctahedra, and faces with four equivalent GaPt12 cuboctahedra. P3- is bonded in a body-centered cubic geometry to eight equivalent Pt atoms.

Authors:
Publication Date:
Other Number(s):
mp-1025270
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; GaPPt5; Ga-P-Pt
OSTI Identifier:
1355396
DOI:
https://doi.org/10.17188/1355396

Citation Formats

The Materials Project. Materials Data on GaPPt5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355396.
The Materials Project. Materials Data on GaPPt5 by Materials Project. United States. doi:https://doi.org/10.17188/1355396
The Materials Project. 2020. "Materials Data on GaPPt5 by Materials Project". United States. doi:https://doi.org/10.17188/1355396. https://www.osti.gov/servlets/purl/1355396. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1355396,
title = {Materials Data on GaPPt5 by Materials Project},
author = {The Materials Project},
abstractNote = {Pt5GaP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 2-coordinate geometry to seven Pt, two equivalent Ga3+, and two equivalent P3- atoms. There are a spread of Pt–Pt bond distances ranging from 2.80–2.90 Å. Both Pt–Ga bond lengths are 2.82 Å. Both Pt–P bond lengths are 2.45 Å. In the second Pt site, Pt is bonded to eight equivalent Pt and four equivalent Ga3+ atoms to form distorted PtGa4Pt8 cuboctahedra that share corners with four equivalent PtGa4Pt8 cuboctahedra, faces with four equivalent PtGa4Pt8 cuboctahedra, and faces with four equivalent GaPt12 cuboctahedra. All Pt–Ga bond lengths are 2.80 Å. Ga3+ is bonded to twelve Pt atoms to form GaPt12 cuboctahedra that share corners with four equivalent GaPt12 cuboctahedra, faces with four equivalent PtGa4Pt8 cuboctahedra, and faces with four equivalent GaPt12 cuboctahedra. P3- is bonded in a body-centered cubic geometry to eight equivalent Pt atoms.},
doi = {10.17188/1355396},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}