U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca3Au by Materials Project
Abstract
Ca3Au is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 3-coordinate geometry to three equivalent Au atoms. There are a spread of Ca–Au bond distances ranging from 3.07–3.46 Å. In the second Ca site, Ca is bonded in a bent 150 degrees geometry to two equivalent Au atoms. There are one shorter (2.99 Å) and one longer (3.04 Å) Ca–Au bond lengths. Au is bonded in a 8-coordinate geometry to eight Ca atoms.
- Publication Date:
- Other Number(s):
- mp-30366
- 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; Au-Ca; Ca3Au; crystal structure
- OSTI Identifier:
- 1204781
- DOI:
- https://doi.org/10.17188/1204781
Citation Formats
Materials Data on Ca3Au by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204781.
Materials Data on Ca3Au by Materials Project. United States. doi:https://doi.org/10.17188/1204781
2020.
"Materials Data on Ca3Au by Materials Project". United States. doi:https://doi.org/10.17188/1204781. https://www.osti.gov/servlets/purl/1204781. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1204781,
title = {Materials Data on Ca3Au by Materials Project},
abstractNote = {Ca3Au is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 3-coordinate geometry to three equivalent Au atoms. There are a spread of Ca–Au bond distances ranging from 3.07–3.46 Å. In the second Ca site, Ca is bonded in a bent 150 degrees geometry to two equivalent Au atoms. There are one shorter (2.99 Å) and one longer (3.04 Å) Ca–Au bond lengths. Au is bonded in a 8-coordinate geometry to eight Ca atoms.},
doi = {10.17188/1204781},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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