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Title: Materials Data on RbSrCl3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1317392· OSTI ID:1317392

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:
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:
1317392
Report Number(s):
mp-998755
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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