U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScHCl by Materials Project
Abstract
ScHCl is Cotunnite-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ScHCl sheets oriented in the (0, 0, 1) direction. Sc2+ is bonded in a 7-coordinate geometry to four equivalent H1- and three equivalent Cl1- atoms. There are one shorter (2.00 Å) and three longer (2.09 Å) Sc–H bond lengths. All Sc–Cl bond lengths are 2.59 Å. H1- is bonded to four equivalent Sc2+ atoms to form a mixture of corner and edge-sharing HSc4 tetrahedra. Cl1- is bonded in a distorted T-shaped geometry to three equivalent Sc2+ atoms.
- Publication Date:
- Other Number(s):
- mp-24081
- 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; Cl-H-Sc; ScHCl; crystal structure
- OSTI Identifier:
- 1199897
- DOI:
- https://doi.org/10.17188/1199897
Citation Formats
Materials Data on ScHCl by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199897.
Materials Data on ScHCl by Materials Project. United States. doi:https://doi.org/10.17188/1199897
2020.
"Materials Data on ScHCl by Materials Project". United States. doi:https://doi.org/10.17188/1199897. https://www.osti.gov/servlets/purl/1199897. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1199897,
title = {Materials Data on ScHCl by Materials Project},
abstractNote = {ScHCl is Cotunnite-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ScHCl sheets oriented in the (0, 0, 1) direction. Sc2+ is bonded in a 7-coordinate geometry to four equivalent H1- and three equivalent Cl1- atoms. There are one shorter (2.00 Å) and three longer (2.09 Å) Sc–H bond lengths. All Sc–Cl bond lengths are 2.59 Å. H1- is bonded to four equivalent Sc2+ atoms to form a mixture of corner and edge-sharing HSc4 tetrahedra. Cl1- is bonded in a distorted T-shaped geometry to three equivalent Sc2+ atoms.},
doi = {10.17188/1199897},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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