Materials Data on RbSrCl3 by Materials Project
RbSrCl3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.27–3.92 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.39–3.99 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six Cl1- atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedra tilt angles range from 27–33°. There are two shorter (2.88 Å) and four longer (2.89 Å) Sr–Cl bond lengths. In the second Sr2+ site, Sr2+ is bonded to six Cl1- atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedra tilt angles range from 25–33°. There are two shorter (2.87 Å) and four longer (2.89 Å) Sr–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Rb1+ and two Sr2+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two Sr2+ atoms. In the third Cl1- site, Cl1- is bonded to two Rb1+ and two equivalent Sr2+ atoms to form distorted corner-sharing ClRb2Sr2 tetrahedra. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two 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:
- 1676512
- Report Number(s):
- mp-1209174
- Country of Publication:
- United States
- Language:
- English
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Materials Data on RbSrCl3 by Materials Project
Materials Data on RbSrCl3 by Materials Project