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[求助]
求JCPDS card (No. 21–1272)和(No. 84-1286)信息
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gyliu
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【答案】应助回帖
feike008(金币+2): 2011-09-21 11:24:44
feike008(金币+3): 2011-09-21 11:25:00
feike008(金币+3): 2011-09-21 11:25:00
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PDF#21-1272: QM=Star(S); d=(Unknown); I=(Unknown) Anatase, syn Ti O2 Colorless Radiation=CuKa1 Lambda=1.5406 Filter= Calibration= 2T=25.281-152.622 I/Ic(RIR)=3.3 Ref: Natl. Bur. Stand. (U.S.) Monogr. 25, v7 p82 (1969) Tetragonal - Powder Diffraction, I41/amd (141) Z=4 mp= CELL: 3.7852 x 3.7852 x 9.5139 <90.0 x 90.0 x 90.0> P.S=tI12 (O2 Ti) Density(c)=3.893 Density(m)=5.01A Mwt=79.90 Vol=136.31 F(30)=74.5(.0115,35/0) Ref: Ibid. Strong Lines: 3.52/X 1.89/4 2.38/2 1.70/2 1.67/2 1.48/1 2.43/1 2.33/1 1.26/1 1.36/1 NOTE: See ICSD 9852 (PDF 01-071-1166). Sample obtained from National Lead Co., South Amboy, New Jersey, USA. Anatase and another polymorph, brookite (orthorhombic), are converted to rutile (tetragonal) by heating above 700 C. 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. Validated by calculated pattern. Pattern taken at 25 C. 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 |
2楼2011-09-21 08:53:52
gyliu
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PDF#84-1286: QM=Calculated(C); d=Calculated; I=Calculated Anatase, syn Ti O2 Radiation=CuKa1 Lambda=1.54060 Filter= Calibration= 2T=25.324-83.230 I/Ic(RIR)=5.05 Ref: Calculated from ICSD using POWD-12++ (1997) Tetragonal - Powder Diffraction, I41/amd (141) Z=4 mp= CELL: 3.7822 x 3.7822 x 9.5023 <90.0 x 90.0 x 90.0> P.S=tI12 (O2 Ti) Density(c)=3.903 Density(m)=5.01A Mwt=79.90 Vol=135.93 F(19)=999.9(.0000,20/0) Ref: Burdett, J.K., Hughbanks, T., Miller, G.J., Richardson, J.W., Smith, J.V. J. Am. Chem. Soc., v109 p3639 (1987) Strong Lines: 3.51/X 1.89/2 2.38/2 1.70/2 1.67/2 1.48/1 1.26/1 2.33/1 2.43/1 1.34/1 FIZ=202243: ATF REM TEM -258 C. M PDF 21-1272. At least one TF implausible. Structural-electronic relationships in inorganic solids: Powder neutron diffraction studies of the rutile and anatase polymorphs of titanium dioxide at 15 and 295K e b (I41/AMDZ) AX2 2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2 25.324 3.5141 100.0 ( 1 0 1) 12.662 0.1423 1.7880 36.988 2.4284 6.2 ( 1 0 3) 18.494 0.2059 2.5874 37.840 2.3756 19.0 ( 0 0 4) 18.920 0.2105 2.6449 38.600 2.3306 7.2 ( 1 1 2) 19.300 0.2145 2.6960 48.073 1.8911 24.9 ( 2 0 0) 24.036 0.2644 3.3225 53.950 1.6981 15.8 ( 1 0 5) 26.975 0.2944 3.7000 55.104 1.6653 15.5 ( 2 1 1) 27.552 0.3003 3.7731 62.163 1.4920 2.7 ( 2 1 3) 31.082 0.3351 4.2111 62.748 1.4795 11.8 ( 2 0 4) 31.374 0.3379 4.2467 68.840 1.3627 5.1 ( 1 1 6) 34.420 0.3669 4.6108 70.344 1.3372 5.5 ( 2 2 0) 35.172 0.3739 4.6987 74.153 1.2777 0.5 ( 1 0 7) 37.076 0.3913 4.9177 75.127 1.2635 8.5 ( 2 1 5) 37.563 0.3957 4.9728 76.098 1.2498 2.3 ( 3 0 1) 38.049 0.4001 5.0274 78.752 1.2142 0.1 ( 2 0 6) 39.376 0.4118 5.1748 80.857 1.1878 0.4 ( 0 0 8) 40.428 0.4209 5.2898 82.233 1.1714 0.6 ( 3 0 3) 41.117 0.4269 5.3640 82.756 1.1653 4.3 ( 2 2 4) 41.378 0.4291 5.3920 83.230 1.1599 1.8 ( 3 1 2) 41.615 0.4311 5.4172 |
3楼2011-09-21 08:54:37
mao931650079
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4楼2017-12-15 12:27:58