U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrGa2 by Materials Project
Abstract
ZrGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Zr is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Zr–Ga bond distances ranging from 2.80–3.05 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Zr atoms. In the second Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Zr atoms. In the third Ga site, Ga is bonded in a 12-coordinate geometry to six equivalent Zr and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.75 Å.
- Publication Date:
- Other Number(s):
- mp-30683
- 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; Ga-Zr; ZrGa2; crystal structure
- OSTI Identifier:
- 1205052
- DOI:
- https://doi.org/10.17188/1205052
Citation Formats
Materials Data on ZrGa2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205052.
Materials Data on ZrGa2 by Materials Project. United States. doi:https://doi.org/10.17188/1205052
2020.
"Materials Data on ZrGa2 by Materials Project". United States. doi:https://doi.org/10.17188/1205052. https://www.osti.gov/servlets/purl/1205052. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205052,
title = {Materials Data on ZrGa2 by Materials Project},
abstractNote = {ZrGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Zr is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Zr–Ga bond distances ranging from 2.80–3.05 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Zr atoms. In the second Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Zr atoms. In the third Ga site, Ga is bonded in a 12-coordinate geometry to six equivalent Zr and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.75 Å.},
doi = {10.17188/1205052},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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