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Materials Data on TmAsPd by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1689196· OSTI ID:1689196
TmPdAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to six equivalent Pd and five equivalent As atoms. There are a spread of Tm–Pd bond distances ranging from 3.05–3.36 Å. There are a spread of Tm–As bond distances ranging from 2.88–2.97 Å. Pd is bonded to six equivalent Tm, two equivalent Pd, and four equivalent As atoms to form a mixture of distorted edge, face, and corner-sharing PdTm6As4Pd2 cuboctahedra. Both Pd–Pd bond lengths are 3.04 Å. There are a spread of Pd–As bond distances ranging from 2.61–2.80 Å. As is bonded in a 9-coordinate geometry to five equivalent Tm and four equivalent Pd 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:
1689196
Report Number(s):
mp-1095625
Country of Publication:
United States
Language:
English

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