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Title: Materials Data on Si4MoPt3 by Materials Project

Abstract

MoPt3Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mo6+ is bonded in a 10-coordinate geometry to three equivalent Pt2- and seven Si atoms. There are one shorter (2.94 Å) and two longer (2.95 Å) Mo–Pt bond lengths. There are a spread of Mo–Si bond distances ranging from 2.55–2.61 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Pt–Si bond distances ranging from 2.43–2.73 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to three equivalent Mo6+ and five Si atoms. There are a spread of Pt–Si bond distances ranging from 2.42–2.56 Å. In the third Pt2- site, Pt2- is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Pt–Si bond distances ranging from 2.44–2.61 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 6-coordinate geometry to six Pt2- atoms. In the second Si site, Si is bonded in a 8-coordinate geometry to two equivalent Mo6+, four Pt2-, and two equivalent Si atoms. Both Si–Si bond lengths are 2.73 Å. Inmore » the third Si site, Si is bonded in a 5-coordinate geometry to one Mo6+, five Pt2-, and two equivalent Si atoms. In the fourth Si site, Si is bonded in a 2-coordinate geometry to four equivalent Mo6+ and two equivalent Pt2- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-978785
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Si4MoPt3; Mo-Pt-Si
OSTI Identifier:
1315984
DOI:
https://doi.org/10.17188/1315984

Citation Formats

The Materials Project. Materials Data on Si4MoPt3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315984.
The Materials Project. Materials Data on Si4MoPt3 by Materials Project. United States. doi:https://doi.org/10.17188/1315984
The Materials Project. 2020. "Materials Data on Si4MoPt3 by Materials Project". United States. doi:https://doi.org/10.17188/1315984. https://www.osti.gov/servlets/purl/1315984. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1315984,
title = {Materials Data on Si4MoPt3 by Materials Project},
author = {The Materials Project},
abstractNote = {MoPt3Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mo6+ is bonded in a 10-coordinate geometry to three equivalent Pt2- and seven Si atoms. There are one shorter (2.94 Å) and two longer (2.95 Å) Mo–Pt bond lengths. There are a spread of Mo–Si bond distances ranging from 2.55–2.61 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Pt–Si bond distances ranging from 2.43–2.73 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to three equivalent Mo6+ and five Si atoms. There are a spread of Pt–Si bond distances ranging from 2.42–2.56 Å. In the third Pt2- site, Pt2- is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Pt–Si bond distances ranging from 2.44–2.61 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 6-coordinate geometry to six Pt2- atoms. In the second Si site, Si is bonded in a 8-coordinate geometry to two equivalent Mo6+, four Pt2-, and two equivalent Si atoms. Both Si–Si bond lengths are 2.73 Å. In the third Si site, Si is bonded in a 5-coordinate geometry to one Mo6+, five Pt2-, and two equivalent Si atoms. In the fourth Si site, Si is bonded in a 2-coordinate geometry to four equivalent Mo6+ and two equivalent Pt2- atoms.},
doi = {10.17188/1315984},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}