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Title: Materials Data on SnSbPt by Materials Project

Abstract

PtSnSb is Marcasite-derived structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to four equivalent Sn4+ and two equivalent Sb2- atoms to form PtSn4Sb2 octahedra that share corners with eight equivalent PtSn2Sb4 octahedra, corners with two equivalent SbSbPt3 tetrahedra, and edges with two equivalent PtSn4Sb2 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. All Pt–Sn bond lengths are 2.72 Å. Both Pt–Sb bond lengths are 2.67 Å. In the second Pt2- site, Pt2- is bonded to two equivalent Sn4+ and four equivalent Sb2- atoms to form PtSn2Sb4 octahedra that share corners with eight equivalent PtSn4Sb2 octahedra, corners with four equivalent SbSbPt3 tetrahedra, and edges with two equivalent PtSn2Sb4 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. Both Pt–Sn bond lengths are 2.72 Å. All Pt–Sb bond lengths are 2.70 Å. Sn4+ is bonded in a distorted trigonal planar geometry to three Pt2- atoms. Sb2- is bonded to three Pt2- and one Sb2- atom to form distorted SbSbPt3 tetrahedra that share corners with three PtSn4Sb2 octahedra, corners with five equivalent SbSbPt3 tetrahedra, and an edgeedge with one SbSbPt3 tetrahedra. The corner-sharingmore » octahedra tilt angles range from 74–77°. The Sb–Sb bond length is 2.93 Å.« less

Publication Date:
Other Number(s):
mp-1218928
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; SnSbPt; Pt-Sb-Sn
OSTI Identifier:
1707028
DOI:
https://doi.org/10.17188/1707028

Citation Formats

The Materials Project. Materials Data on SnSbPt by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707028.
The Materials Project. Materials Data on SnSbPt by Materials Project. United States. doi:https://doi.org/10.17188/1707028
The Materials Project. 2020. "Materials Data on SnSbPt by Materials Project". United States. doi:https://doi.org/10.17188/1707028. https://www.osti.gov/servlets/purl/1707028. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1707028,
title = {Materials Data on SnSbPt by Materials Project},
author = {The Materials Project},
abstractNote = {PtSnSb is Marcasite-derived structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to four equivalent Sn4+ and two equivalent Sb2- atoms to form PtSn4Sb2 octahedra that share corners with eight equivalent PtSn2Sb4 octahedra, corners with two equivalent SbSbPt3 tetrahedra, and edges with two equivalent PtSn4Sb2 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. All Pt–Sn bond lengths are 2.72 Å. Both Pt–Sb bond lengths are 2.67 Å. In the second Pt2- site, Pt2- is bonded to two equivalent Sn4+ and four equivalent Sb2- atoms to form PtSn2Sb4 octahedra that share corners with eight equivalent PtSn4Sb2 octahedra, corners with four equivalent SbSbPt3 tetrahedra, and edges with two equivalent PtSn2Sb4 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. Both Pt–Sn bond lengths are 2.72 Å. All Pt–Sb bond lengths are 2.70 Å. Sn4+ is bonded in a distorted trigonal planar geometry to three Pt2- atoms. Sb2- is bonded to three Pt2- and one Sb2- atom to form distorted SbSbPt3 tetrahedra that share corners with three PtSn4Sb2 octahedra, corners with five equivalent SbSbPt3 tetrahedra, and an edgeedge with one SbSbPt3 tetrahedra. The corner-sharing octahedra tilt angles range from 74–77°. The Sb–Sb bond length is 2.93 Å.},
doi = {10.17188/1707028},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}