U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sc7Cl12 by Materials Project
Abstract
Sc7Cl12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to six equivalent Cl atoms to form edge-sharing ScCl6 octahedra. All Sc–Cl bond lengths are 2.56 Å. In the second Sc site, Sc is bonded to five Cl atoms to form ScCl5 square pyramids that share corners with six equivalent ScCl5 square pyramids, an edgeedge with one ScCl6 octahedra, and an edgeedge with one ScCl5 square pyramid. There are a spread of Sc–Cl bond distances ranging from 2.55–2.83 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted T-shaped geometry to three equivalent Sc atoms. In the second Cl site, Cl is bonded in a distorted T-shaped geometry to three Sc atoms.
- Publication Date:
- Other Number(s):
- mp-23186
- 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-Sc; Sc7Cl12; crystal structure
- OSTI Identifier:
- 1199307
- DOI:
- https://doi.org/10.17188/1199307
Citation Formats
Materials Data on Sc7Cl12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199307.
Materials Data on Sc7Cl12 by Materials Project. United States. doi:https://doi.org/10.17188/1199307
2020.
"Materials Data on Sc7Cl12 by Materials Project". United States. doi:https://doi.org/10.17188/1199307. https://www.osti.gov/servlets/purl/1199307. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1199307,
title = {Materials Data on Sc7Cl12 by Materials Project},
abstractNote = {Sc7Cl12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to six equivalent Cl atoms to form edge-sharing ScCl6 octahedra. All Sc–Cl bond lengths are 2.56 Å. In the second Sc site, Sc is bonded to five Cl atoms to form ScCl5 square pyramids that share corners with six equivalent ScCl5 square pyramids, an edgeedge with one ScCl6 octahedra, and an edgeedge with one ScCl5 square pyramid. There are a spread of Sc–Cl bond distances ranging from 2.55–2.83 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted T-shaped geometry to three equivalent Sc atoms. In the second Cl site, Cl is bonded in a distorted T-shaped geometry to three Sc atoms.},
doi = {10.17188/1199307},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}