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Materials Data on BaSiC by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1326308· OSTI ID:1326308

BaSiC crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba2+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are one shorter (3.42 Å) and four longer (3.47 Å) Ba–Si bond lengths. Si4- is bonded in a single-bond geometry to five equivalent Ba2+ and one C2+ atom. The Si–C bond length is 1.71 Å. C2+ is bonded in a single-bond geometry to one Si4- atom.

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:
1326308
Report Number(s):
mp-1009828
Country of Publication:
United States
Language:
English

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