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Title: Materials Data on Ge3Pt2 by Materials Project

Abstract

Ge3Pt2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded to six Ge atoms to form PtGe6 octahedra that share corners with four equivalent PtGe6 octahedra, a cornercorner with one GeGePt3 tetrahedra, and edges with two equivalent PtGe6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Pt–Ge bond distances ranging from 2.52–2.58 Å. In the second Pt site, Pt is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.53–2.66 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to five Pt atoms. In the second Ge site, Ge is bonded to three equivalent Pt and one Ge atom to form distorted GeGePt3 tetrahedra that share a cornercorner with one PtGe6 octahedra and corners with six equivalent GeGePt3 tetrahedra. The corner-sharing octahedral tilt angles are 73°. The Ge–Ge bond length is 2.55 Å. In the third Ge site, Ge is bonded in a 5-coordinate geometry to four Pt and one Ge atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-542587
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; Ge3Pt2; Ge-Pt
OSTI Identifier:
1266586
DOI:
10.17188/1266586

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ge3Pt2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266586.
Persson, Kristin, & Project, Materials. Materials Data on Ge3Pt2 by Materials Project. United States. doi:10.17188/1266586.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ge3Pt2 by Materials Project". United States. doi:10.17188/1266586. https://www.osti.gov/servlets/purl/1266586. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1266586,
title = {Materials Data on Ge3Pt2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ge3Pt2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded to six Ge atoms to form PtGe6 octahedra that share corners with four equivalent PtGe6 octahedra, a cornercorner with one GeGePt3 tetrahedra, and edges with two equivalent PtGe6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Pt–Ge bond distances ranging from 2.52–2.58 Å. In the second Pt site, Pt is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.53–2.66 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to five Pt atoms. In the second Ge site, Ge is bonded to three equivalent Pt and one Ge atom to form distorted GeGePt3 tetrahedra that share a cornercorner with one PtGe6 octahedra and corners with six equivalent GeGePt3 tetrahedra. The corner-sharing octahedral tilt angles are 73°. The Ge–Ge bond length is 2.55 Å. In the third Ge site, Ge is bonded in a 5-coordinate geometry to four Pt and one Ge atom.},
doi = {10.17188/1266586},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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