U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-1102520
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Mo-Si-Zr; ZrSiMo; crystal structure
- OSTI Identifier:
- 1740179
- DOI:
- https://doi.org/10.17188/1740179
Citation Formats
Materials Data on ZrSiMo by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740179.
Materials Data on ZrSiMo by Materials Project. United States. doi:https://doi.org/10.17188/1740179
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},
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}
}