U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaZn3 by Materials Project
Abstract
CaZn3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 10-coordinate geometry to fourteen Zn atoms. There are a spread of Ca–Zn bond distances ranging from 2.93–3.51 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to six equivalent Ca and eight equivalent Zn atoms. All Zn–Zn bond lengths are 2.93 Å. In the second Zn site, Zn is bonded to four equivalent Ca and four equivalent Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnCa4Zn4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1094784
- 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; CaZn3; crystal structure
- OSTI Identifier:
- 1677082
- DOI:
- https://doi.org/10.17188/1677082
Citation Formats
Materials Data on CaZn3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1677082.
Materials Data on CaZn3 by Materials Project. United States. doi:https://doi.org/10.17188/1677082
2020.
"Materials Data on CaZn3 by Materials Project". United States. doi:https://doi.org/10.17188/1677082. https://www.osti.gov/servlets/purl/1677082. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1677082,
title = {Materials Data on CaZn3 by Materials Project},
abstractNote = {CaZn3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 10-coordinate geometry to fourteen Zn atoms. There are a spread of Ca–Zn bond distances ranging from 2.93–3.51 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to six equivalent Ca and eight equivalent Zn atoms. All Zn–Zn bond lengths are 2.93 Å. In the second Zn site, Zn is bonded to four equivalent Ca and four equivalent Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnCa4Zn4 tetrahedra.},
doi = {10.17188/1677082},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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