Materials Data on TiO2 by Materials Project
TiO2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ti4+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing TiO7 pentagonal bipyramids. There are a spread of Ti–O bond distances ranging from 1.92–2.13 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Ti4+ atoms. In the second O2- site, O2- is bonded to four equivalent Ti4+ atoms to form a mixture of corner and edge-sharing OTi4 tetrahedra.
- 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:
- 1739296
- Report Number(s):
- mp-1190753
- Country of Publication:
- United States
- Language:
- English
Structural and photocatalytic degradation characteristics of hydrothermally treated mesoporous TiO2
|
journal | November 2008 |
Adipic ester hydrogenation catalyzed by platinum supported in alumina, titania and pillared clays
|
journal | December 2008 |
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