U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaGaSnH by Materials Project
Abstract
CaGaSnH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ca is bonded in a distorted trigonal planar geometry to three equivalent Sn and three equivalent H atoms. All Ca–Sn bond lengths are 3.37 Å. All Ca–H bond lengths are 2.54 Å. Ga is bonded in a distorted single-bond geometry to three equivalent Sn and one H atom. All Ga–Sn bond lengths are 2.67 Å. The Ga–H bond length is 1.73 Å. Sn is bonded in a 6-coordinate geometry to three equivalent Ca and three equivalent Ga atoms. H is bonded to three equivalent Ca and one Ga atom to form corner-sharing HCa3Ga trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-1018091
- 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-Ga-H-Sn; CaGaSnH; crystal structure
- OSTI Identifier:
- 1350185
- DOI:
- https://doi.org/10.17188/1350185
Citation Formats
Materials Data on CaGaSnH by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350185.
Materials Data on CaGaSnH by Materials Project. United States. doi:https://doi.org/10.17188/1350185
2020.
"Materials Data on CaGaSnH by Materials Project". United States. doi:https://doi.org/10.17188/1350185. https://www.osti.gov/servlets/purl/1350185. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1350185,
title = {Materials Data on CaGaSnH by Materials Project},
abstractNote = {CaGaSnH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ca is bonded in a distorted trigonal planar geometry to three equivalent Sn and three equivalent H atoms. All Ca–Sn bond lengths are 3.37 Å. All Ca–H bond lengths are 2.54 Å. Ga is bonded in a distorted single-bond geometry to three equivalent Sn and one H atom. All Ga–Sn bond lengths are 2.67 Å. The Ga–H bond length is 1.73 Å. Sn is bonded in a 6-coordinate geometry to three equivalent Ca and three equivalent Ga atoms. H is bonded to three equivalent Ca and one Ga atom to form corner-sharing HCa3Ga trigonal pyramids.},
doi = {10.17188/1350185},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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