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Title: Materials Data on Rb3Tc by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1314641· OSTI ID:1314641

Rb3Tc is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to four equivalent Tc3- atoms to form a mixture of distorted corner and edge-sharing RbTc4 tetrahedra. All Rb–Tc bond lengths are 4.17 Å. In the second Rb1+ site, Rb1+ is bonded in a square co-planar geometry to four equivalent Tc3- atoms. All Rb–Tc bond lengths are 4.36 Å. Tc3- is bonded to twelve Rb1+ atoms to form a mixture of corner, edge, and face-sharing TcRb12 cuboctahedra.

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:
1314641
Report Number(s):
mp-974774
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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