U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbTlBr3 by Materials Project
Abstract
RbTlBr3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to twelve Br atoms. There are a spread of Rb–Br bond distances ranging from 4.03–4.22 Å. Tl is bonded to six Br atoms to form corner-sharing TlBr6 octahedra. The corner-sharing octahedra tilt angles range from 1–5°. There are a spread of Tl–Br bond distances ranging from 2.90–2.94 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Tl atoms. In the second Br site, Br is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Tl atoms. In the third Br site, Br is bonded in a linear geometry to four equivalent Rb and two equivalent Tl atoms.
- Publication Date:
- Other Number(s):
- mp-998391
- 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-Tl; crystal structure; RbTlBr3
- OSTI Identifier:
- 1317316
- DOI:
- https://doi.org/10.17188/1317316
Citation Formats
Materials Data on RbTlBr3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317316.
Materials Data on RbTlBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1317316
2020.
"Materials Data on RbTlBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1317316. https://www.osti.gov/servlets/purl/1317316. Pub date:Sun Jul 19 20:00:00 EDT 2020
@article{osti_1317316,
title = {Materials Data on RbTlBr3 by Materials Project},
abstractNote = {RbTlBr3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to twelve Br atoms. There are a spread of Rb–Br bond distances ranging from 4.03–4.22 Å. Tl is bonded to six Br atoms to form corner-sharing TlBr6 octahedra. The corner-sharing octahedra tilt angles range from 1–5°. There are a spread of Tl–Br bond distances ranging from 2.90–2.94 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Tl atoms. In the second Br site, Br is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Tl atoms. In the third Br site, Br is bonded in a linear geometry to four equivalent Rb and two equivalent Tl atoms.},
doi = {10.17188/1317316},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}