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Materials Data on RbTb3F10 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1725583· OSTI ID:1725583
RbTb3F10 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to sixteen F1- atoms to form distorted edge-sharing RbF16 tetrahedra. There are four shorter (2.85 Å) and twelve longer (3.27 Å) Rb–F bond lengths. Tb3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.24 Å) and four longer (2.39 Å) Tb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Rb1+ and two equivalent Tb3+ atoms. In the second F1- site, F1- is bonded to one Rb1+ and three equivalent Tb3+ atoms to form a mixture of distorted edge and corner-sharing FRbTb3 tetrahedra.
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:
1725583
Report Number(s):
mp-1209091
Country of Publication:
United States
Language:
English

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