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Card Information Names: Titanium Oxide Anatase, syn Formula: Ti O2 PDF Number: 21-1272 Quality: star Subfiles: inorganic mineral alloy COR CP EDU FOR NBS Cell and Symmetry Information System: tetragonal Space Group: I41/amd (no. 141) a: 3.7852 c: 9.5139 Density (Dx): 3.893 Z: 4 Instrument Information Radiation: Wavelength: Instrument(d): unknown Instrument(I): unknown I type: unknown I/Icor: 3.3 Comments and Additional Information Colour: Colorless Pattern: See ICSD 9852 (PDF 01-071-1166). Source: Sample obtained from National Lead Co., South Amboy, New Jersey, USA. General: Anatase and another polymorph, brookite (orthorhombic), are converted to rutile (tetragonal) by heating above 700 C. General: Pattern reviewed by Holzer, J., McCarthy, G., North Dakota State Univ, Fargo, North Dakota, USA, ICDD Grant-in-Aid (1990). Agrees well with experimental and calculated patterns. Pattern: Validated by calculated pattern. Temperature: Pattern taken at 25 C. Literature References General: Natl. Bur. Stand. (U.S.) Monogr. 25 7 82 (1969) Peak Data 2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2 25.281 3.5200 100.0 ( 1 0 1) 12.640 0.1420 1.7850 36.946 2.4310 10.0 ( 1 0 3) 18.473 0.2057 2.5846 37.800 2.3780 20.0 ( 0 0 4) 18.900 0.2103 2.6422 38.575 2.3320 10.0 ( 1 1 2) 19.288 0.2144 2.6943 48.049 1.8920 35.0 ( 2 0 0) 24.024 0.2643 3.3209 53.890 1.6999 20.0 ( 1 0 5) 26.945 0.2941 3.6962 55.060 1.6665 20.0 ( 2 1 1) 27.530 0.3000 3.7703 62.119 1.4930 4.0 ( 2 1 3) 31.059 0.3349 4.2084 62.688 1.4808 14.0 ( 2 0 4) 31.344 0.3377 4.2431 68.760 1.3641 6.0 ( 1 1 6) 34.380 0.3665 4.6061 70.309 1.3378 6.0 ( 2 2 0) 35.154 0.3737 4.6967 74.029 1.2795 2.0 ( 1 0 7) 37.014 0.3908 4.9107 75.029 1.2649 10.0 ( 2 1 5) 37.515 0.3953 4.9673 76.017 1.2509 4.0 ( 3 0 1) 38.009 0.3997 5.0229 80.725 1.1894 2.0 ( 0 0 8) 40.362 0.4204 5.2827 82.136 1.1725 2.0 ( 3 0 3) 41.068 0.4264 5.3588 82.659 1.1664 6.0 ( 2 2 4) 41.330 0.4287 5.3868 83.146 1.1608 4.0 ( 3 1 2) 41.573 0.4307 5.4128 93.217 1.0600 2.0 ( 2 1 7) 46.609 0.4717 5.9275 94.178 1.0517 4.0 ( 3 0 5) 47.089 0.4754 5.9743 95.139 1.0436 4.0 ( 3 2 1) 47.570 0.4791 6.0207 98.315 1.0182 2.0 ( 1 0 9) 49.158 0.4911 6.1709 99.801 1.0070 2.0 ( 2 0 8) 49.900 0.4965 6.2395 101.217 0.9967 2.0 ( 3 2 3) 50.609 0.5017 6.3040 107.444 0.9555 4.0 ( 3 1 6) 53.722 0.5233 6.5758 108.959 0.9464 4.0 ( 4 0 0) 54.479 0.5283 6.6390 112.836 0.9246 2.0 ( 3 0 7) 56.418 0.5408 6.7956 113.857 0.9192 2.0 ( 3 2 5) 56.928 0.5440 6.8355 114.904 0.9138 2.0 ( 4 1 1) 57.452 0.5472 6.8759 118.434 0.8966 4.0 ( 2 1 9) 59.217 0.5577 7.0078 120.099 0.8890 2.0 ( 2 2 8) 60.049 0.5624 7.0677 121.720 0.8819 2.0 ( 4 1 3) 60.860 0.5670 7.1246 122.331 0.8793 2.0 ( 4 0 4) 61.165 0.5686 7.1457 131.029 0.8464 2.0 ( 4 2 0) 65.514 0.5907 7.4234 135.991 0.8308 2.0 ( 3 2 7) 67.996 0.6018 7.5628 137.384 0.8268 4.0 ( 4 1 5) 68.692 0.6047 7.5994 143.878 0.8102 2.0 ( 3 0 9) 71.939 0.6171 7.7551 150.028 0.7974 4.0 ( 4 2 4) 75.014 0.6270 7.8796 152.622 0.7928 2.0 ( 0 0 12) 76.311 0.6307 7.9253 |
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