U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaGa4 by Materials Project
Abstract
CaGa4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to sixteen Ga atoms. There are a spread of Ca–Ga bond distances ranging from 3.27–3.54 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ca and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.49–2.66 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ca and five Ga atoms. The Ga–Ga bond length is 2.91 Å.
- Publication Date:
- Other Number(s):
- mp-2461
- 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-Ga; CaGa4; crystal structure
- OSTI Identifier:
- 1200163
- DOI:
- https://doi.org/10.17188/1200163
Citation Formats
Materials Data on CaGa4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1200163.
Materials Data on CaGa4 by Materials Project. United States. doi:https://doi.org/10.17188/1200163
2020.
"Materials Data on CaGa4 by Materials Project". United States. doi:https://doi.org/10.17188/1200163. https://www.osti.gov/servlets/purl/1200163. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1200163,
title = {Materials Data on CaGa4 by Materials Project},
abstractNote = {CaGa4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to sixteen Ga atoms. There are a spread of Ca–Ga bond distances ranging from 3.27–3.54 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ca and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.49–2.66 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ca and five Ga atoms. The Ga–Ga bond length is 2.91 Å.},
doi = {10.17188/1200163},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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