U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2ErAuCl6 by Materials Project
Abstract
Cs2ErAuCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent ErCl6 octahedra, and faces with four equivalent AuCl6 octahedra. All Cs–Cl bond lengths are 3.83 Å. Er3+ is bonded to six equivalent Cl1- atoms to form ErCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Er–Cl bond lengths are 2.62 Å. Au1+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent ErCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.79 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Cs1+, one Er3+, and one Au1+ atom.
- Publication Date:
- Other Number(s):
- mp-1112928
- 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; Au-Cl-Cs-Er; Cs2ErAuCl6; crystal structure
- OSTI Identifier:
- 1712023
- DOI:
- https://doi.org/10.17188/1712023
Citation Formats
Materials Data on Cs2ErAuCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1712023.
Materials Data on Cs2ErAuCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1712023
2020.
"Materials Data on Cs2ErAuCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1712023. https://www.osti.gov/servlets/purl/1712023. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1712023,
title = {Materials Data on Cs2ErAuCl6 by Materials Project},
abstractNote = {Cs2ErAuCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent ErCl6 octahedra, and faces with four equivalent AuCl6 octahedra. All Cs–Cl bond lengths are 3.83 Å. Er3+ is bonded to six equivalent Cl1- atoms to form ErCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Er–Cl bond lengths are 2.62 Å. Au1+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent ErCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.79 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Cs1+, one Er3+, and one Au1+ atom.},
doi = {10.17188/1712023},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}