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Materials Data on HfSi by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1187104· OSTI ID:1187104
HfSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf4+ is bonded in a 7-coordinate geometry to seven equivalent Si4- atoms. There are a spread of Hf–Si bond distances ranging from 2.71–2.91 Å. Si4- is bonded in a 9-coordinate geometry to seven equivalent Hf4+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.47 Å.
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:
1187104
Report Number(s):
mp-1042
Country of Publication:
United States
Language:
English

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