U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca2Pb by Materials Project
Abstract
Ca2Pb 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 to four equivalent Pb atoms to form a mixture of edge and corner-sharing CaPb4 tetrahedra. There are three shorter (3.20 Å) and one longer (3.30 Å) Ca–Pb bond lengths. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.39–3.74 Å. Pb is bonded in a 9-coordinate geometry to nine Ca atoms.
- Publication Date:
- Other Number(s):
- mp-30478
- 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-Pb; Ca2Pb; crystal structure
- OSTI Identifier:
- 1204884
- DOI:
- https://doi.org/10.17188/1204884
Citation Formats
Materials Data on Ca2Pb by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204884.
Materials Data on Ca2Pb by Materials Project. United States. doi:https://doi.org/10.17188/1204884
2020.
"Materials Data on Ca2Pb by Materials Project". United States. doi:https://doi.org/10.17188/1204884. https://www.osti.gov/servlets/purl/1204884. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1204884,
title = {Materials Data on Ca2Pb by Materials Project},
abstractNote = {Ca2Pb 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 to four equivalent Pb atoms to form a mixture of edge and corner-sharing CaPb4 tetrahedra. There are three shorter (3.20 Å) and one longer (3.30 Å) Ca–Pb bond lengths. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.39–3.74 Å. Pb is bonded in a 9-coordinate geometry to nine Ca atoms.},
doi = {10.17188/1204884},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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