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Title: Materials Data on RbTl3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1314737· OSTI ID:1314737

RbTl3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb is bonded in a distorted body-centered cubic geometry to fourteen Tl atoms. There are eight shorter (3.57 Å) and six longer (4.12 Å) Rb–Tl bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded to four equivalent Rb and four equivalent Tl atoms to form a mixture of corner, edge, and face-sharing TlRb4Tl4 tetrahedra. All Tl–Tl bond lengths are 3.57 Å. In the second Tl site, Tl is bonded in a 6-coordinate geometry to six equivalent Rb and eight equivalent Tl 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:
1314737
Report Number(s):
mp-975198
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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