U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca2GaCu2 by Materials Project
Abstract
Ca2Cu2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ca is bonded in a 10-coordinate geometry to six equivalent Cu and four equivalent Ga atoms. There are four shorter (3.06 Å) and two longer (3.09 Å) Ca–Cu bond lengths. There are two shorter (3.27 Å) and two longer (3.46 Å) Ca–Ga bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Ca, two equivalent Cu, and two equivalent Ga atoms. There are one shorter (2.64 Å) and one longer (2.86 Å) Cu–Cu bond lengths. Both Cu–Ga bond lengths are 2.55 Å. Ga is bonded to eight equivalent Ca and four equivalent Cu atoms to form a mixture of distorted edge and face-sharing GaCa8Cu4 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-30472
- 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-Cu-Ga; Ca2GaCu2; crystal structure
- OSTI Identifier:
- 1204879
- DOI:
- https://doi.org/10.17188/1204879
Citation Formats
Materials Data on Ca2GaCu2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204879.
Materials Data on Ca2GaCu2 by Materials Project. United States. doi:https://doi.org/10.17188/1204879
2020.
"Materials Data on Ca2GaCu2 by Materials Project". United States. doi:https://doi.org/10.17188/1204879. https://www.osti.gov/servlets/purl/1204879. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204879,
title = {Materials Data on Ca2GaCu2 by Materials Project},
abstractNote = {Ca2Cu2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ca is bonded in a 10-coordinate geometry to six equivalent Cu and four equivalent Ga atoms. There are four shorter (3.06 Å) and two longer (3.09 Å) Ca–Cu bond lengths. There are two shorter (3.27 Å) and two longer (3.46 Å) Ca–Ga bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Ca, two equivalent Cu, and two equivalent Ga atoms. There are one shorter (2.64 Å) and one longer (2.86 Å) Cu–Cu bond lengths. Both Cu–Ga bond lengths are 2.55 Å. Ga is bonded to eight equivalent Ca and four equivalent Cu atoms to form a mixture of distorted edge and face-sharing GaCa8Cu4 cuboctahedra.},
doi = {10.17188/1204879},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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