Name and formula
Reference code: 01-086-1156
Mineral name: Anatase, syn
Compound name: Titanium Oxide
ICSD name: Titanium Oxide
Empirical formula: O2Ti0.784
Chemical formula: Ti0.784O2
Crystallographic parameters
Crystal system: Tetragonal
Space group: I41/amd
Space group number: 141
a (Å): 3.7800
b (Å): 3.7800
c (Å): 9.5100
Alpha (°): 90.0000
Beta (°): 90.0000
Gamma (°): 90.0000
Calculated density (g/cm^3): 3.40
Volume of cell (10^6 pm^3): 135.88
Z: 4.00
RIR: 3.93
Subfiles and quality
Subfiles: Alloy, metal or intermetalic
Corrosion
Inorganic
Mineral
Modelled additional pattern
Quality: Calculated (C)
Comments
ICSD collection code: 082082
Creation Date: 1/1/1970
Modification Date: 1/1/1970
ICSD Collection Code: 082082
Calculated Pattern Original Remarks: REM RVP
Calculated Pattern Original Remarks: REM K Minority phase (11%) in mixture with rutile from gel
d
Calculated Pattern Original Remarks: REM 343 K for 24h and annealed at 673 K for 12h in air
Test from ICSD: No R value given
Test from ICSD: At least one TF missing.
References
Primary reference: Calculated from ICSD using POWD-12++, (1997)
Structure: Sanchez, E., Lopez, T., Gomez, R., Bokhimi, Morales, A., Novaro, O., J.
Solid State Chem., 122, 309, (1996)
Peak list
No. h k l d [A] 2Theta[deg] I [%]
1 1 0 1 3.51269 25.335 100.0
2 1 0 3 2.42893 36.980 2.2
3 0 0 4 2.37750 37.809 15.9
4 1 1 2 2.32998 38.611 2.8
5 2 0 0 1.89000 48.104 24.7
6 1 0 5 1.69904 53.921 15.5
7 2 1 1 1.66438 55.138 13.4
8 2 1 3 1.49163 62.184 1.1
9 2 0 4 1.47948 62.753 8.7
10 1 1 6 1.36332 68.807 4.6
11 2 2 0 1.33643 70.394 4.8
12 1 0 7 1.27850 74.099 0.2
13 2 1 5 1.26354 75.126 7.2
14 3 0 1 1.24908 76.150 1.7
15 0 0 8 1.18875 80.781 0.1
16 3 0 3 1.17090 82.275 0.2
17 2 2 4 1.16499 82.784 2.8
18 3 1 2 1.15927 83.283 0.7
Stick Pattern