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Title: Materials Data on AlSiPt6 by Materials Project

Abstract

Pt6SiAl crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional and consists of two aluminum molecules and one Pt6Si framework. In the Pt6Si framework, there are three inequivalent Pt+0.17+ sites. In the first Pt+0.17+ site, Pt+0.17+ is bonded in a linear geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.77 Å. In the second Pt+0.17+ site, Pt+0.17+ is bonded in an L-shaped geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.86 Å. In the third Pt+0.17+ site, Pt+0.17+ is bonded in an L-shaped geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.68 Å. Si4- is bonded to twelve Pt+0.17+ atoms to form a mixture of face and corner-sharing SiPt12 cuboctahedra.

Publication Date:
Other Number(s):
mp-1228017
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; AlSiPt6; Al-Pt-Si
OSTI Identifier:
1744624
DOI:
https://doi.org/10.17188/1744624

Citation Formats

The Materials Project. Materials Data on AlSiPt6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744624.
The Materials Project. Materials Data on AlSiPt6 by Materials Project. United States. doi:https://doi.org/10.17188/1744624
The Materials Project. 2020. "Materials Data on AlSiPt6 by Materials Project". United States. doi:https://doi.org/10.17188/1744624. https://www.osti.gov/servlets/purl/1744624. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744624,
title = {Materials Data on AlSiPt6 by Materials Project},
author = {The Materials Project},
abstractNote = {Pt6SiAl crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional and consists of two aluminum molecules and one Pt6Si framework. In the Pt6Si framework, there are three inequivalent Pt+0.17+ sites. In the first Pt+0.17+ site, Pt+0.17+ is bonded in a linear geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.77 Å. In the second Pt+0.17+ site, Pt+0.17+ is bonded in an L-shaped geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.86 Å. In the third Pt+0.17+ site, Pt+0.17+ is bonded in an L-shaped geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.68 Å. Si4- is bonded to twelve Pt+0.17+ atoms to form a mixture of face and corner-sharing SiPt12 cuboctahedra.},
doi = {10.17188/1744624},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}