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Title: Materials Data on RbSn2Br5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1274040· OSTI ID:1274040

RbSn2Br5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are eight shorter (3.68 Å) and two longer (3.82 Å) Rb–Br bond lengths. Sn2+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are two shorter (2.78 Å) and two longer (3.14 Å) Sn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to two equivalent Rb1+ and four equivalent Sn2+ atoms to form distorted corner-sharing BrRb2Sn4 octahedra. The corner-sharing octahedra tilt angles range from 0–32°. In the second Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Rb1+ and one Sn2+ 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:
1274040
Report Number(s):
mp-567780
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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