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Materials Data on Ti2O3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1677202· OSTI ID:1677202

Ti2O3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two Ti2O3 sheets oriented in the (0, 1, 0) direction. Ti3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ti–O bond distances ranging from 1.84–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Ti3+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ti3+ 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:
1677202
Report Number(s):
mp-1179268
Country of Publication:
United States
Language:
English

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