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Materials Data on TiSi by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1690781· OSTI ID:1690781
TiSi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ti4+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. There are a spread of Ti–Si bond distances ranging from 2.62–2.90 Å. Si4- is bonded to eight equivalent Ti4+ and four equivalent Si4- atoms to form a mixture of distorted edge, face, and corner-sharing SiTi8Si4 cuboctahedra. All Si–Si bond lengths are 2.80 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:
1690781
Report Number(s):
mp-1065146
Country of Publication:
United States
Language:
English

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