U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca2Hg by Materials Project
Abstract
Ca2Hg is Cotunnite 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 5-coordinate geometry to five equivalent Hg atoms. There are a spread of Ca–Hg bond distances ranging from 3.30–3.69 Å. In the second Ca site, Ca is bonded to four equivalent Hg atoms to form a mixture of distorted edge and corner-sharing CaHg4 tetrahedra. There are a spread of Ca–Hg bond distances ranging from 3.20–3.24 Å. Hg is bonded in a 9-coordinate geometry to nine Ca atoms.
- Publication Date:
- Other Number(s):
- mp-1103139
- 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-Hg; Ca2Hg; crystal structure
- OSTI Identifier:
- 1741791
- DOI:
- https://doi.org/10.17188/1741791
Citation Formats
Materials Data on Ca2Hg by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1741791.
Materials Data on Ca2Hg by Materials Project. United States. doi:https://doi.org/10.17188/1741791
2020.
"Materials Data on Ca2Hg by Materials Project". United States. doi:https://doi.org/10.17188/1741791. https://www.osti.gov/servlets/purl/1741791. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1741791,
title = {Materials Data on Ca2Hg by Materials Project},
abstractNote = {Ca2Hg is Cotunnite 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 5-coordinate geometry to five equivalent Hg atoms. There are a spread of Ca–Hg bond distances ranging from 3.30–3.69 Å. In the second Ca site, Ca is bonded to four equivalent Hg atoms to form a mixture of distorted edge and corner-sharing CaHg4 tetrahedra. There are a spread of Ca–Hg bond distances ranging from 3.20–3.24 Å. Hg is bonded in a 9-coordinate geometry to nine Ca atoms.},
doi = {10.17188/1741791},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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