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Title: Materials Data on Rb6Cl4O by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1203950· OSTI ID:1203950

Rb6OCl4 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Rb1+ is bonded to one O2- and five Cl1- atoms to form a mixture of distorted edge, face, and corner-sharing RbCl5O octahedra. The corner-sharing octahedra tilt angles range from 0–63°. The Rb–O bond length is 2.72 Å. There are a spread of Rb–Cl bond distances ranging from 3.29–3.61 Å. O2- is bonded in an octahedral geometry to six equivalent Rb1+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six equivalent Rb1+ atoms. In the second Cl1- site, Cl1- is bonded in a 8-coordinate geometry to eight equivalent Rb1+ 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:
1203950
Report Number(s):
mp-29468
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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