U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca3Hg2 by Materials Project
Abstract
Ca3Hg2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a square co-planar geometry to four equivalent Hg atoms. All Ca–Hg bond lengths are 3.33 Å. In the second Ca site, Ca is bonded to six equivalent Hg atoms to form a mixture of distorted edge, face, and corner-sharing CaHg6 pentagonal pyramids. There are two shorter (3.22 Å) and four longer (3.31 Å) Ca–Hg bond lengths. Hg is bonded in a 8-coordinate geometry to eight Ca atoms.
- Publication Date:
- Other Number(s):
- mp-11288
- 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; Ca3Hg2; crystal structure
- OSTI Identifier:
- 1187712
- DOI:
- https://doi.org/10.17188/1187712
Citation Formats
Materials Data on Ca3Hg2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187712.
Materials Data on Ca3Hg2 by Materials Project. United States. doi:https://doi.org/10.17188/1187712
2020.
"Materials Data on Ca3Hg2 by Materials Project". United States. doi:https://doi.org/10.17188/1187712. https://www.osti.gov/servlets/purl/1187712. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187712,
title = {Materials Data on Ca3Hg2 by Materials Project},
abstractNote = {Ca3Hg2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a square co-planar geometry to four equivalent Hg atoms. All Ca–Hg bond lengths are 3.33 Å. In the second Ca site, Ca is bonded to six equivalent Hg atoms to form a mixture of distorted edge, face, and corner-sharing CaHg6 pentagonal pyramids. There are two shorter (3.22 Å) and four longer (3.31 Å) Ca–Hg bond lengths. Hg is bonded in a 8-coordinate geometry to eight Ca atoms.},
doi = {10.17188/1187712},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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