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Materials Data on RbSnIO6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1267791· OSTI ID:1267791
RbSnO6I crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Rb is bonded to six equivalent O atoms to form distorted RbO6 pentagonal pyramids that share corners with six equivalent SnO6 octahedra and corners with six equivalent IO6 octahedra. The corner-sharing octahedra tilt angles range from 48–57°. All Rb–O bond lengths are 2.93 Å. Sn is bonded to six equivalent O atoms to form SnO6 octahedra that share corners with six equivalent RbO6 pentagonal pyramids and edges with three equivalent IO6 octahedra. All Sn–O bond lengths are 2.11 Å. O is bonded in a distorted trigonal planar geometry to one Rb, one Sn, and one I atom. The O–I bond length is 1.92 Å. I is bonded to six equivalent O atoms to form IO6 octahedra that share corners with six equivalent RbO6 pentagonal pyramids and edges with three equivalent SnO6 octahedra.
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:
1267791
Report Number(s):
mp-554199
Country of Publication:
United States
Language:
English

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