Name and formula

Reference code: 00-049-1433

Compound name: Titanium Oxide

PDF index name: Titanium Oxide

Empirical formula: O2Ti

Chemical formula: TiO2

Crystallographic parameters
Crystal system: Orthorhombic
Space group: Pbnm
Space group number: 62

a (Å): 4.9010
b (Å): 9.4530
c (Å): 2.9580
Alpha (°): 90.0000
Beta (°): 90.0000
Gamma (°): 90.0000

Calculated density (g/cm3): 3.87

Measured density (g/cm3): 3.80
Volume of cell (106 pm3): 137.04
Z: 4.00

RIR:: -

Status, subfiles and quality

Status: Marked as deleted by ICDD
Subfiles: Alloy, metal or intermetalic, Corrosion, Inorganic, Pharmaceutical
Quality: Star (S)

Comments
Color: Colorless
Color: Colorless
Sample Preparation: Obtained by the complete oxidation of Li0.5TiO5
crystals using an acid solution. Contains 0.78 wt% Li

Additional Patterns: See ICSD 75179 (PDF 01-082-1123)

Deleted Or Rejected By: Deleted by 00-053-0619, higher FN, Mayo 7/02.

References
Primary reference: Akimoto, J., Gotoh, Y., Oosawa, Y., Nonose, N., Kumagai, T., Aoki, K., Takei, H., J. Solid State Chem., 113, 27,
(1994)

Peak list

No. h k l d [Å] 2θ [°] I [%]

1 0 2 0 4.72600 18.761 2.0
2 1 1 0 4.34600 20.418 100.0
3 1 2 0 3.39900 26.197 3.0
 4 1 3 0 2.64800 33.824 7.0
5 1 1 1 2.44600 36.712 2.0
6 0 4 0 2.36400 38.034 2.0
7 1 2 1 2.23200 40.378 2.0
8 2 2 0 2.17600 41.464 3.0
9 1 3 1 1.97300 45.961 1.0
10 2 3 0 1.93600 46.892 2.0
11 2 1 1 1.85000 49.212 1.0
12 2 2 1 1.75300 52.133 1.0
13 2 3 1 1.61900 56.821 1.0
14 3 2 0 1.54400 59.854 1.0
15 1 5 1 1.51500 61.121 10.0
16 2 5 0 1.49700 61.936 1.0
17 3 1 1 1.41400 66.017 1.0
18 1 1 2 1.40000 66.763 1.0
19 1 3 2 1.29100 73.263 1.0
20 0 4 2 1.25400 75.798 1.0
21 3 4 1 1.22400 78.001 1.0

Stick Pattern