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Materials Data on Tb2CI by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1749434· OSTI ID:1749434
Tb2CI is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to three equivalent C and three equivalent I atoms to form a mixture of distorted face, edge, and corner-sharing TbC3I3 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. All Tb–C bond lengths are 2.53 Å. All Tb–I bond lengths are 3.27 Å. C is bonded to six equivalent Tb atoms to form edge-sharing CTb6 octahedra. I is bonded in a 6-coordinate geometry to six equivalent Tb atoms.
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:
1749434
Report Number(s):
mp-1207197
Country of Publication:
United States
Language:
English

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