Materials Data on RbSrCl3 by Materials Project
RbSrCl3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Cl1- atoms to form distorted RbCl6 octahedra that share corners with nine equivalent SrCl6 octahedra, edges with three equivalent RbCl6 octahedra, and a faceface with one SrCl6 octahedra. The corner-sharing octahedra tilt angles range from 39–63°. There are three shorter (3.28 Å) and three longer (3.42 Å) Rb–Cl bond lengths. Sr2+ is bonded to six equivalent Cl1- atoms to form SrCl6 octahedra that share corners with nine equivalent RbCl6 octahedra, edges with three equivalent SrCl6 octahedra, and a faceface with one RbCl6 octahedra. The corner-sharing octahedra tilt angles range from 39–63°. There are three shorter (2.91 Å) and three longer (2.94 Å) Sr–Cl bond lengths. Cl1- is bonded in a distorted see-saw-like geometry to two equivalent Rb1+ and two equivalent Sr2+ atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1317392
- Report Number(s):
- mp-998755
- Country of Publication:
- United States
- Language:
- English
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