U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrCuSiAs by Materials Project
Abstract
ZrCuSiAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to four equivalent Si4- and four equivalent As1- atoms. All Zr–Si bond lengths are 2.83 Å. All Zr–As bond lengths are 2.77 Å. Cu1+ is bonded to four equivalent As1- atoms to form a mixture of distorted edge and corner-sharing CuAs4 tetrahedra. All Cu–As bond lengths are 2.52 Å. Si4- is bonded in a 8-coordinate geometry to four equivalent Zr4+ and four equivalent Si4- atoms. All Si–Si bond lengths are 2.60 Å. As1- is bonded in a 8-coordinate geometry to four equivalent Zr4+ and four equivalent Cu1+ atoms.
- Publication Date:
- Other Number(s):
- mp-9929
- 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; As-Cu-Si-Zr; ZrCuSiAs; crystal structure
- OSTI Identifier:
- 1316992
- DOI:
- https://doi.org/10.17188/1316992
Citation Formats
Materials Data on ZrCuSiAs by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316992.
Materials Data on ZrCuSiAs by Materials Project. United States. doi:https://doi.org/10.17188/1316992
2020.
"Materials Data on ZrCuSiAs by Materials Project". United States. doi:https://doi.org/10.17188/1316992. https://www.osti.gov/servlets/purl/1316992. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1316992,
title = {Materials Data on ZrCuSiAs by Materials Project},
abstractNote = {ZrCuSiAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to four equivalent Si4- and four equivalent As1- atoms. All Zr–Si bond lengths are 2.83 Å. All Zr–As bond lengths are 2.77 Å. Cu1+ is bonded to four equivalent As1- atoms to form a mixture of distorted edge and corner-sharing CuAs4 tetrahedra. All Cu–As bond lengths are 2.52 Å. Si4- is bonded in a 8-coordinate geometry to four equivalent Zr4+ and four equivalent Si4- atoms. All Si–Si bond lengths are 2.60 Å. As1- is bonded in a 8-coordinate geometry to four equivalent Zr4+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1316992},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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