U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb2TeBr6 by Materials Project
Abstract
Rb2TeBr6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Rb1+ is bonded to twelve Br1- atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with four equivalent TeBr6 octahedra. There are a spread of Rb–Br bond distances ranging from 3.78–4.11 Å. Te4+ is bonded to six Br1- atoms to form TeBr6 octahedra that share faces with eight equivalent RbBr12 cuboctahedra. All Te–Br bond lengths are 2.74 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one Te4+ atom. In the second Br1- site, Br1- is bonded to four equivalent Rb1+ and one Te4+ atom to form a mixture of distorted corner and edge-sharing BrRb4Te square pyramids.
- Publication Date:
- Other Number(s):
- mp-570324
- 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; Br-Rb-Te; crystal structure; Rb2TeBr6
- OSTI Identifier:
- 1275639
- DOI:
- https://doi.org/10.17188/1275639
Citation Formats
Materials Data on Rb2TeBr6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275639.
Materials Data on Rb2TeBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1275639
2020.
"Materials Data on Rb2TeBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1275639. https://www.osti.gov/servlets/purl/1275639. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1275639,
title = {Materials Data on Rb2TeBr6 by Materials Project},
abstractNote = {Rb2TeBr6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Rb1+ is bonded to twelve Br1- atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with four equivalent TeBr6 octahedra. There are a spread of Rb–Br bond distances ranging from 3.78–4.11 Å. Te4+ is bonded to six Br1- atoms to form TeBr6 octahedra that share faces with eight equivalent RbBr12 cuboctahedra. All Te–Br bond lengths are 2.74 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one Te4+ atom. In the second Br1- site, Br1- is bonded to four equivalent Rb1+ and one Te4+ atom to form a mixture of distorted corner and edge-sharing BrRb4Te square pyramids.},
doi = {10.17188/1275639},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}