U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrCuGeAs by Materials Project
Abstract
ZrCuGeAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Ge and four equivalent As atoms. All Zr–Ge bond lengths are 2.88 Å. All Zr–As bond lengths are 2.81 Å. Cu is bonded to four equivalent As atoms to form a mixture of distorted corner and edge-sharing CuAs4 cuboctahedra. All Cu–As bond lengths are 2.53 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.65 Å. As is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent Cu atoms.
- Publication Date:
- Other Number(s):
- mp-1078698
- 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-Ge-Zr; ZrCuGeAs; crystal structure
- OSTI Identifier:
- 1679358
- DOI:
- https://doi.org/10.17188/1679358
Citation Formats
Materials Data on ZrCuGeAs by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1679358.
Materials Data on ZrCuGeAs by Materials Project. United States. doi:https://doi.org/10.17188/1679358
2020.
"Materials Data on ZrCuGeAs by Materials Project". United States. doi:https://doi.org/10.17188/1679358. https://www.osti.gov/servlets/purl/1679358. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1679358,
title = {Materials Data on ZrCuGeAs by Materials Project},
abstractNote = {ZrCuGeAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Ge and four equivalent As atoms. All Zr–Ge bond lengths are 2.88 Å. All Zr–As bond lengths are 2.81 Å. Cu is bonded to four equivalent As atoms to form a mixture of distorted corner and edge-sharing CuAs4 cuboctahedra. All Cu–As bond lengths are 2.53 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.65 Å. As is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent Cu atoms.},
doi = {10.17188/1679358},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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