Materials Data on TiO2 by Materials Project
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下载链接：
https://www.osti.gov/servlets/purl/1207597/
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资源简介：
TiO2 is beta Vanadium nitride-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There is four shorter (1.95 Å) and two longer (2.01 Å) Ti–O bond length. O2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2015-08-06
