U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca2Sn by Materials Project
Abstract
Ca2Sn 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 Sn atoms to form a mixture of corner and edge-sharing CaSn4 tetrahedra. There are three shorter (3.16 Å) and one longer (3.26 Å) Ca–Sn bond lengths. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Ca–Sn bond distances ranging from 3.35–3.69 Å. Sn is bonded in a 9-coordinate geometry to nine Ca atoms.
- Publication Date:
- Other Number(s):
- mp-22735
- 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-Sn; Ca2Sn; crystal structure
- OSTI Identifier:
- 1198936
- DOI:
- https://doi.org/10.17188/1198936
Citation Formats
Materials Data on Ca2Sn by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1198936.
Materials Data on Ca2Sn by Materials Project. United States. doi:https://doi.org/10.17188/1198936
2020.
"Materials Data on Ca2Sn by Materials Project". United States. doi:https://doi.org/10.17188/1198936. https://www.osti.gov/servlets/purl/1198936. Pub date:Sat Jul 18 04:00:00 UTC 2020
@article{osti_1198936,
title = {Materials Data on Ca2Sn by Materials Project},
abstractNote = {Ca2Sn 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 Sn atoms to form a mixture of corner and edge-sharing CaSn4 tetrahedra. There are three shorter (3.16 Å) and one longer (3.26 Å) Ca–Sn bond lengths. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Ca–Sn bond distances ranging from 3.35–3.69 Å. Sn is bonded in a 9-coordinate geometry to nine Ca atoms.},
doi = {10.17188/1198936},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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