U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaGa4 by Materials Project
Abstract
CaGa4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to sixteen Ga atoms. There are eight shorter (3.34 Å) and eight longer (3.48 Å) Ca–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Ca and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.63 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 2.48 Å.
- Publication Date:
- Other Number(s):
- mp-1976
- 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:
- 1194965
- DOI:
- https://doi.org/10.17188/1194965
Citation Formats
Materials Data on CaGa4 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1194965.
Materials Data on CaGa4 by Materials Project. United States. doi:https://doi.org/10.17188/1194965
2017.
"Materials Data on CaGa4 by Materials Project". United States. doi:https://doi.org/10.17188/1194965. https://www.osti.gov/servlets/purl/1194965. Pub date:Wed Jun 07 04:00:00 UTC 2017
@article{osti_1194965,
title = {Materials Data on CaGa4 by Materials Project},
abstractNote = {CaGa4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to sixteen Ga atoms. There are eight shorter (3.34 Å) and eight longer (3.48 Å) Ca–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Ca and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.63 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 2.48 Å.},
doi = {10.17188/1194965},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {6}
}
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