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Title: Materials Data on SiPtSe by Materials Project

Abstract

PtSiSe is Spinel-like structured and crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent Si4+ and three equivalent Se2- atoms to form PtSi3Se3 octahedra that share corners with twelve equivalent PtSi3Se3 octahedra, corners with three equivalent SiPt3Se tetrahedra, and corners with three equivalent SeSiPt3 tetrahedra. The corner-sharing octahedra tilt angles range from 63–66°. There are a spread of Pt–Si bond distances ranging from 2.40–2.42 Å. There are a spread of Pt–Se bond distances ranging from 2.60–2.65 Å. Si4+ is bonded to three equivalent Pt2- and one Se2- atom to form SiPt3Se tetrahedra that share corners with three equivalent PtSi3Se3 octahedra, corners with six equivalent SiPt3Se tetrahedra, and corners with nine equivalent SeSiPt3 tetrahedra. The corner-sharing octahedra tilt angles range from 72–81°. The Si–Se bond length is 2.40 Å. Se2- is bonded to three equivalent Pt2- and one Si4+ atom to form distorted SeSiPt3 tetrahedra that share corners with three equivalent PtSi3Se3 octahedra, corners with six equivalent SeSiPt3 tetrahedra, and corners with nine equivalent SiPt3Se tetrahedra. The corner-sharing octahedra tilt angles range from 77–80°.

Publication Date:
Other Number(s):
mp-1103261
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; SiPtSe; Pt-Se-Si
OSTI Identifier:
1665595
DOI:
https://doi.org/10.17188/1665595

Citation Formats

The Materials Project. Materials Data on SiPtSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1665595.
The Materials Project. Materials Data on SiPtSe by Materials Project. United States. doi:https://doi.org/10.17188/1665595
The Materials Project. 2020. "Materials Data on SiPtSe by Materials Project". United States. doi:https://doi.org/10.17188/1665595. https://www.osti.gov/servlets/purl/1665595. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1665595,
title = {Materials Data on SiPtSe by Materials Project},
author = {The Materials Project},
abstractNote = {PtSiSe is Spinel-like structured and crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent Si4+ and three equivalent Se2- atoms to form PtSi3Se3 octahedra that share corners with twelve equivalent PtSi3Se3 octahedra, corners with three equivalent SiPt3Se tetrahedra, and corners with three equivalent SeSiPt3 tetrahedra. The corner-sharing octahedra tilt angles range from 63–66°. There are a spread of Pt–Si bond distances ranging from 2.40–2.42 Å. There are a spread of Pt–Se bond distances ranging from 2.60–2.65 Å. Si4+ is bonded to three equivalent Pt2- and one Se2- atom to form SiPt3Se tetrahedra that share corners with three equivalent PtSi3Se3 octahedra, corners with six equivalent SiPt3Se tetrahedra, and corners with nine equivalent SeSiPt3 tetrahedra. The corner-sharing octahedra tilt angles range from 72–81°. The Si–Se bond length is 2.40 Å. Se2- is bonded to three equivalent Pt2- and one Si4+ atom to form distorted SeSiPt3 tetrahedra that share corners with three equivalent PtSi3Se3 octahedra, corners with six equivalent SeSiPt3 tetrahedra, and corners with nine equivalent SiPt3Se tetrahedra. The corner-sharing octahedra tilt angles range from 77–80°.},
doi = {10.17188/1665595},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}