Materials Data on RbTlF3 by Materials Project
RbTlF3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Rb is bonded to twelve F atoms to form distorted RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, and faces with eight equivalent TlF6 octahedra. There are a spread of Rb–F bond distances ranging from 3.26–3.48 Å. Tl is bonded to six F atoms to form TlF6 octahedra that share corners with six equivalent TlF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are three shorter (2.37 Å) and three longer (2.38 Å) Tl–F bond lengths. There are three inequivalent F sites. In the first F site, F is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Tl atoms. In the second F site, F is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Tl atoms. In the third F site, F is bonded in a distorted 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:
- 1317365
- Report Number(s):
- mp-998607
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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