Materials Data on RbTlBr3 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1317316
- Report Number(s):
- mp-998391
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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