U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce3Ga4Cl by Materials Project
Abstract
Ce3Ga4Cl crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to eight equivalent Ga and two equivalent Cl atoms. There are a spread of Ce–Ga bond distances ranging from 3.11–3.41 Å. Both Ce–Cl bond lengths are 3.01 Å. In the second Ce site, Ce is bonded in a distorted linear geometry to eight equivalent Ga and two equivalent Cl atoms. All Ce–Ga bond lengths are 3.14 Å. Both Ce–Cl bond lengths are 2.78 Å. Ga is bonded in a 9-coordinate geometry to six Ce and three equivalent Ga atoms. There are two shorter (2.62 Å) and one longer (2.71 Å) Ga–Ga bond lengths. Cl is bonded to six Ce atoms to form corner-sharing ClCe6 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.
- Publication Date:
- Other Number(s):
- mp-30278
- 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; Ce-Cl-Ga; Ce3Ga4Cl; crystal structure
- OSTI Identifier:
- 1204705
- DOI:
- https://doi.org/10.17188/1204705
Citation Formats
Materials Data on Ce3Ga4Cl by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204705.
Materials Data on Ce3Ga4Cl by Materials Project. United States. doi:https://doi.org/10.17188/1204705
2020.
"Materials Data on Ce3Ga4Cl by Materials Project". United States. doi:https://doi.org/10.17188/1204705. https://www.osti.gov/servlets/purl/1204705. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1204705,
title = {Materials Data on Ce3Ga4Cl by Materials Project},
abstractNote = {Ce3Ga4Cl crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to eight equivalent Ga and two equivalent Cl atoms. There are a spread of Ce–Ga bond distances ranging from 3.11–3.41 Å. Both Ce–Cl bond lengths are 3.01 Å. In the second Ce site, Ce is bonded in a distorted linear geometry to eight equivalent Ga and two equivalent Cl atoms. All Ce–Ga bond lengths are 3.14 Å. Both Ce–Cl bond lengths are 2.78 Å. Ga is bonded in a 9-coordinate geometry to six Ce and three equivalent Ga atoms. There are two shorter (2.62 Å) and one longer (2.71 Å) Ga–Ga bond lengths. Cl is bonded to six Ce atoms to form corner-sharing ClCe6 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.},
doi = {10.17188/1204705},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}