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Title: Materials Data on RbAsF6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1316373· OSTI ID:1316373

RbAsF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with six equivalent AsF6 octahedra, edges with six equivalent RbF12 cuboctahedra, and faces with two equivalent AsF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are six shorter (3.06 Å) and six longer (3.17 Å) Rb–F bond lengths. As5+ is bonded to six equivalent F1- atoms to form AsF6 octahedra that share corners with six equivalent RbF12 cuboctahedra and faces with two equivalent RbF12 cuboctahedra. All As–F bond lengths are 1.78 Å. F1- is bonded in a single-bond geometry to two equivalent Rb1+ and one As5+ atom.

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:
1316373
Report Number(s):
mp-9819
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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