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Title: Materials Data on MoPt2Br by Materials Project

Abstract

MoPt2Br crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo5+ is bonded in a distorted body-centered cubic geometry to four equivalent Pt2- and four equivalent Br1- atoms. All Mo–Pt bond lengths are 2.79 Å. All Mo–Br bond lengths are 2.79 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 8-coordinate geometry to four equivalent Mo5+, four equivalent Pt2-, and six equivalent Br1- atoms. All Pt–Pt bond lengths are 2.79 Å. All Pt–Br bond lengths are 3.22 Å. In the second Pt2- site, Pt2- is bonded to four equivalent Pt2- and four equivalent Br1- atoms to form distorted edge-sharing PtPt4Br4 tetrahedra. All Pt–Br bond lengths are 2.79 Å. Br1- is bonded in a body-centered cubic geometry to four equivalent Mo5+ and ten Pt2- atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631576
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; MoPt2Br; Br-Mo-Pt
OSTI Identifier:
1279264
DOI:
10.17188/1279264

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on MoPt2Br by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279264.
Persson, Kristin, & Project, Materials. Materials Data on MoPt2Br by Materials Project. United States. doi:10.17188/1279264.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on MoPt2Br by Materials Project". United States. doi:10.17188/1279264. https://www.osti.gov/servlets/purl/1279264. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1279264,
title = {Materials Data on MoPt2Br by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {MoPt2Br crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo5+ is bonded in a distorted body-centered cubic geometry to four equivalent Pt2- and four equivalent Br1- atoms. All Mo–Pt bond lengths are 2.79 Å. All Mo–Br bond lengths are 2.79 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 8-coordinate geometry to four equivalent Mo5+, four equivalent Pt2-, and six equivalent Br1- atoms. All Pt–Pt bond lengths are 2.79 Å. All Pt–Br bond lengths are 3.22 Å. In the second Pt2- site, Pt2- is bonded to four equivalent Pt2- and four equivalent Br1- atoms to form distorted edge-sharing PtPt4Br4 tetrahedra. All Pt–Br bond lengths are 2.79 Å. Br1- is bonded in a body-centered cubic geometry to four equivalent Mo5+ and ten Pt2- atoms.},
doi = {10.17188/1279264},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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