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Title: Materials Data on SiSbPt5 by Materials Project

Abstract

Pt5SiSb crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.40- sites. In the first Pt+0.40- site, Pt+0.40- is bonded in a 2-coordinate geometry to two equivalent Pt+0.40-, two equivalent Si4+, and two equivalent Sb2- atoms. Both Pt–Pt bond lengths are 2.95 Å. Both Pt–Si bond lengths are 2.47 Å. Both Pt–Sb bond lengths are 2.95 Å. In the second Pt+0.40- site, Pt+0.40- is bonded to eight equivalent Pt+0.40- and four equivalent Sb2- atoms to form distorted PtSb4Pt8 cuboctahedra that share corners with four equivalent PtSb4Pt8 cuboctahedra, faces with four equivalent PtSb4Pt8 cuboctahedra, and faces with four equivalent SbPt12 cuboctahedra. All Pt–Sb bond lengths are 2.84 Å. Si4+ is bonded in a body-centered cubic geometry to eight equivalent Pt+0.40- atoms. Sb2- is bonded to twelve Pt+0.40- atoms to form SbPt12 cuboctahedra that share corners with four equivalent SbPt12 cuboctahedra, faces with four equivalent PtSb4Pt8 cuboctahedra, and faces with four equivalent SbPt12 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1025366
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; SiSbPt5; Pt-Sb-Si
OSTI Identifier:
1355630
DOI:
https://doi.org/10.17188/1355630

Citation Formats

The Materials Project. Materials Data on SiSbPt5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355630.
The Materials Project. Materials Data on SiSbPt5 by Materials Project. United States. doi:https://doi.org/10.17188/1355630
The Materials Project. 2020. "Materials Data on SiSbPt5 by Materials Project". United States. doi:https://doi.org/10.17188/1355630. https://www.osti.gov/servlets/purl/1355630. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1355630,
title = {Materials Data on SiSbPt5 by Materials Project},
author = {The Materials Project},
abstractNote = {Pt5SiSb crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.40- sites. In the first Pt+0.40- site, Pt+0.40- is bonded in a 2-coordinate geometry to two equivalent Pt+0.40-, two equivalent Si4+, and two equivalent Sb2- atoms. Both Pt–Pt bond lengths are 2.95 Å. Both Pt–Si bond lengths are 2.47 Å. Both Pt–Sb bond lengths are 2.95 Å. In the second Pt+0.40- site, Pt+0.40- is bonded to eight equivalent Pt+0.40- and four equivalent Sb2- atoms to form distorted PtSb4Pt8 cuboctahedra that share corners with four equivalent PtSb4Pt8 cuboctahedra, faces with four equivalent PtSb4Pt8 cuboctahedra, and faces with four equivalent SbPt12 cuboctahedra. All Pt–Sb bond lengths are 2.84 Å. Si4+ is bonded in a body-centered cubic geometry to eight equivalent Pt+0.40- atoms. Sb2- is bonded to twelve Pt+0.40- atoms to form SbPt12 cuboctahedra that share corners with four equivalent SbPt12 cuboctahedra, faces with four equivalent PtSb4Pt8 cuboctahedra, and faces with four equivalent SbPt12 cuboctahedra.},
doi = {10.17188/1355630},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}