Materials Data on Rb2ErAuCl6 by Materials Project
Abstract
Rb2ErAuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent ErCl6 octahedra, and faces with four equivalent AuCl6 octahedra. All Rb–Cl bond lengths are 3.80 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 RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Er–Cl bond lengths are 2.61 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 RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.76 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Rb1+, one Er3+, and one Au1+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1113656
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Rb2ErAuCl6; Au-Cl-Er-Rb
- OSTI Identifier:
- 1722066
- DOI:
- https://doi.org/10.17188/1722066
Citation Formats
The Materials Project. Materials Data on Rb2ErAuCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722066.
The Materials Project. Materials Data on Rb2ErAuCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1722066
The Materials Project. 2020.
"Materials Data on Rb2ErAuCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1722066. https://www.osti.gov/servlets/purl/1722066. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1722066,
title = {Materials Data on Rb2ErAuCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2ErAuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent ErCl6 octahedra, and faces with four equivalent AuCl6 octahedra. All Rb–Cl bond lengths are 3.80 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 RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Er–Cl bond lengths are 2.61 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 RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.76 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Rb1+, one Er3+, and one Au1+ atom.},
doi = {10.17188/1722066},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}