U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaGa3Co2 by Materials Project
Abstract
CaCo2Ga3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 1-coordinate geometry to two equivalent Ca, eight equivalent Co, and eleven Ga atoms. Both Ca–Ca bond lengths are 3.62 Å. There are four shorter (3.46 Å) and four longer (3.52 Å) Ca–Co bond lengths. There are a spread of Ca–Ga bond distances ranging from 3.01–3.49 Å. Co is bonded in a 12-coordinate geometry to four equivalent Ca and six Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.37–2.52 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Ca, four equivalent Co, and four Ga atoms. There are two shorter (2.59 Å) and two longer (2.77 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to four equivalent Ca, four equivalent Co, and three Ga atoms. Both Ga–Ga bond lengths are 2.90 Å.
- Publication Date:
- Other Number(s):
- mp-1101789
- 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-Co-Ga; CaGa3Co2; crystal structure
- OSTI Identifier:
- 1652015
- DOI:
- https://doi.org/10.17188/1652015
Citation Formats
Materials Data on CaGa3Co2 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1652015.
Materials Data on CaGa3Co2 by Materials Project. United States. doi:https://doi.org/10.17188/1652015
2018.
"Materials Data on CaGa3Co2 by Materials Project". United States. doi:https://doi.org/10.17188/1652015. https://www.osti.gov/servlets/purl/1652015. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1652015,
title = {Materials Data on CaGa3Co2 by Materials Project},
abstractNote = {CaCo2Ga3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 1-coordinate geometry to two equivalent Ca, eight equivalent Co, and eleven Ga atoms. Both Ca–Ca bond lengths are 3.62 Å. There are four shorter (3.46 Å) and four longer (3.52 Å) Ca–Co bond lengths. There are a spread of Ca–Ga bond distances ranging from 3.01–3.49 Å. Co is bonded in a 12-coordinate geometry to four equivalent Ca and six Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.37–2.52 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Ca, four equivalent Co, and four Ga atoms. There are two shorter (2.59 Å) and two longer (2.77 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to four equivalent Ca, four equivalent Co, and three Ga atoms. Both Ga–Ga bond lengths are 2.90 Å.},
doi = {10.17188/1652015},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}