U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca by Materials Project
Abstract
Ca is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to twelve Ca atoms to form a mixture of edge, corner, and face-sharing CaCa12 cuboctahedra. There are six shorter (3.89 Å) and six longer (3.91 Å) Ca–Ca bond lengths. In the second Ca site, Ca is bonded to twelve Ca atoms to form a mixture of edge, corner, and face-sharing CaCa12 cuboctahedra. All Ca–Ca bond lengths are 3.89 Å.
- Publication Date:
- Other Number(s):
- mp-1183484
- 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; crystal structure
- OSTI Identifier:
- 1674733
- DOI:
- https://doi.org/10.17188/1674733
Citation Formats
Materials Data on Ca by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1674733.
Materials Data on Ca by Materials Project. United States. doi:https://doi.org/10.17188/1674733
2020.
"Materials Data on Ca by Materials Project". United States. doi:https://doi.org/10.17188/1674733. https://www.osti.gov/servlets/purl/1674733. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1674733,
title = {Materials Data on Ca by Materials Project},
abstractNote = {Ca is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to twelve Ca atoms to form a mixture of edge, corner, and face-sharing CaCa12 cuboctahedra. There are six shorter (3.89 Å) and six longer (3.91 Å) Ca–Ca bond lengths. In the second Ca site, Ca is bonded to twelve Ca atoms to form a mixture of edge, corner, and face-sharing CaCa12 cuboctahedra. All Ca–Ca bond lengths are 3.89 Å.},
doi = {10.17188/1674733},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 04:00:00 UTC 2020},
month = {Sun May 03 04:00:00 UTC 2020}
}
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