U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaZn5 by Materials Project
Abstract
CaZn5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to eighteen Zn atoms. There are six shorter (3.12 Å) and twelve longer (3.44 Å) Ca–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Ca and eight Zn atoms to form a mixture of face, edge, and corner-sharing ZnCa4Zn8 cuboctahedra. There are four shorter (2.64 Å) and four longer (2.70 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Ca and six equivalent Zn atoms.
- Publication Date:
- Other Number(s):
- mp-1734
- 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; Ca-Zn; CaZn5; crystal structure
- OSTI Identifier:
- 1192457
- DOI:
- https://doi.org/10.17188/1192457
Citation Formats
Materials Data on CaZn5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192457.
Materials Data on CaZn5 by Materials Project. United States. doi:https://doi.org/10.17188/1192457
2020.
"Materials Data on CaZn5 by Materials Project". United States. doi:https://doi.org/10.17188/1192457. https://www.osti.gov/servlets/purl/1192457. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1192457,
title = {Materials Data on CaZn5 by Materials Project},
abstractNote = {CaZn5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to eighteen Zn atoms. There are six shorter (3.12 Å) and twelve longer (3.44 Å) Ca–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Ca and eight Zn atoms to form a mixture of face, edge, and corner-sharing ZnCa4Zn8 cuboctahedra. There are four shorter (2.64 Å) and four longer (2.70 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Ca and six equivalent Zn atoms.},
doi = {10.17188/1192457},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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