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Title: Materials Data on ZrSiMo by Materials Project

Abstract

MoSiZr crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr2+ is bonded to five equivalent Si4- atoms to form distorted ZrSi5 trigonal bipyramids that share corners with eight equivalent MoSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with six equivalent MoSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Zr–Si bond distances ranging from 2.76–2.93 Å. Mo2+ is bonded to four equivalent Si4- atoms to form distorted MoSi4 tetrahedra that share corners with eight equivalent MoSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with two equivalent MoSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Mo–Si bond distances ranging from 2.53–2.69 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Zr2+ and four equivalent Mo2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1102520
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; ZrSiMo; Mo-Si-Zr
OSTI Identifier:
1740179
DOI:
https://doi.org/10.17188/1740179

Citation Formats

The Materials Project. Materials Data on ZrSiMo by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740179.
The Materials Project. Materials Data on ZrSiMo by Materials Project. United States. doi:https://doi.org/10.17188/1740179
The Materials Project. 2020. "Materials Data on ZrSiMo by Materials Project". United States. doi:https://doi.org/10.17188/1740179. https://www.osti.gov/servlets/purl/1740179. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1740179,
title = {Materials Data on ZrSiMo by Materials Project},
author = {The Materials Project},
abstractNote = {MoSiZr crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr2+ is bonded to five equivalent Si4- atoms to form distorted ZrSi5 trigonal bipyramids that share corners with eight equivalent MoSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with six equivalent MoSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Zr–Si bond distances ranging from 2.76–2.93 Å. Mo2+ is bonded to four equivalent Si4- atoms to form distorted MoSi4 tetrahedra that share corners with eight equivalent MoSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with two equivalent MoSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Mo–Si bond distances ranging from 2.53–2.69 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Zr2+ and four equivalent Mo2+ atoms.},
doi = {10.17188/1740179},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}