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Title: Materials Data on GePtS by Materials Project

Abstract

PtGeS is Spinel-like structured and crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent Ge4+ and three equivalent S2- atoms to form PtGe3S3 octahedra that share corners with twelve equivalent PtGe3S3 octahedra, corners with three equivalent GePt3S tetrahedra, and corners with three equivalent SGePt3 tetrahedra. The corner-sharing octahedra tilt angles range from 64–65°. All Pt–Ge bond lengths are 2.48 Å. There are one shorter (2.48 Å) and two longer (2.49 Å) Pt–S bond lengths. Ge4+ is bonded to three equivalent Pt2- and one S2- atom to form GePt3S tetrahedra that share corners with three equivalent PtGe3S3 octahedra, corners with six equivalent GePt3S tetrahedra, and corners with nine equivalent SGePt3 tetrahedra. The corner-sharing octahedra tilt angles range from 76–78°. The Ge–S bond length is 2.35 Å. S2- is bonded to three equivalent Pt2- and one Ge4+ atom to form SGePt3 tetrahedra that share corners with three equivalent PtGe3S3 octahedra, corners with six equivalent SGePt3 tetrahedra, and corners with nine equivalent GePt3S tetrahedra. The corner-sharing octahedra tilt angles range from 77–78°.

Publication Date:
Other Number(s):
mp-1101755
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; GePtS; Ge-Pt-S
OSTI Identifier:
1606264
DOI:
10.17188/1606264

Citation Formats

The Materials Project. Materials Data on GePtS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1606264.
The Materials Project. Materials Data on GePtS by Materials Project. United States. doi:10.17188/1606264.
The Materials Project. 2020. "Materials Data on GePtS by Materials Project". United States. doi:10.17188/1606264. https://www.osti.gov/servlets/purl/1606264. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1606264,
title = {Materials Data on GePtS by Materials Project},
author = {The Materials Project},
abstractNote = {PtGeS is Spinel-like structured and crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent Ge4+ and three equivalent S2- atoms to form PtGe3S3 octahedra that share corners with twelve equivalent PtGe3S3 octahedra, corners with three equivalent GePt3S tetrahedra, and corners with three equivalent SGePt3 tetrahedra. The corner-sharing octahedra tilt angles range from 64–65°. All Pt–Ge bond lengths are 2.48 Å. There are one shorter (2.48 Å) and two longer (2.49 Å) Pt–S bond lengths. Ge4+ is bonded to three equivalent Pt2- and one S2- atom to form GePt3S tetrahedra that share corners with three equivalent PtGe3S3 octahedra, corners with six equivalent GePt3S tetrahedra, and corners with nine equivalent SGePt3 tetrahedra. The corner-sharing octahedra tilt angles range from 76–78°. The Ge–S bond length is 2.35 Å. S2- is bonded to three equivalent Pt2- and one Ge4+ atom to form SGePt3 tetrahedra that share corners with three equivalent PtGe3S3 octahedra, corners with six equivalent SGePt3 tetrahedra, and corners with nine equivalent GePt3S tetrahedra. The corner-sharing octahedra tilt angles range from 77–78°.},
doi = {10.17188/1606264},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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