跪求氧化钛的XRD标准图谱!!!。。。。好心人顺便把您用的软件也发给我吧 谢谢!!!
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氧化钛每种晶体结构的XRD标准谱图都不同,不知道你要的是哪一种?
软件Jade和PDF标准谱图文件比较大200多M。我尝试给你发一下。不知道能不能成功,所以给你发个链接:
参考:http://emuch.net/bbs/viewthread.php?tid=1948097
或下载:http://www.namipan.com/d/MDI%20Jade%205.0.rar/286d746277f4e991ee3e3cb5bf49be954c0e96a554d57f11
本文来自: 小木虫论坛 http://emuch.net/bbs/viewthread.php?tid=1948097
本文来自: 小木虫论坛 http://emuch.net/bbs/viewthread.php?tid=2413063
下面是锐钛矿的标准谱图:
PDF#21-1272: QM=Star(+); d=(Unknown); I=(Unknown)
Anatase, syn
Ti O2 (Colorless)
Radiation=CuKa1 Lambda=1.5406 Filter=
Calibration= d-Cutoff= I/Ic(RIR)=3.3
Ref= Natl. Bur. Stand. (U.S.) Monogr. 25, 7 82 (1969)
Tetragonal - Powder Diffraction, I41/amd (141) Z=4 mp=
Cell=3.7852x9.5139 Pearson=tI12 (O2 Ti)
Density(c)=3.893 Density(m)=5.01A Mwt=79.90 Vol=136.31 F(30)=74.2(.0116,35)
Ref= Ibid.
Strong Line: 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: 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.
See ICSD 9852 (PDF 71-1166).
d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d
3.520 100.0 100.0 1 0 1 25.281 12.640 0.1420 1.7850
2.431 10.0 14.0 1 0 3 36.946 18.473 0.2057 2.5846
2.378 20.0 30.0 0 0 4 37.800 18.900 0.2103 2.6422
2.332 10.0 15.0 1 1 2 38.575 19.288 0.2144 2.6943
1.892 35.0 65.0 2 0 0 48.049 24.024 0.2643 3.3209
1.699 20.0 41.0 1 0 5 53.890 26.945 0.2941 3.6962
1.666 20.0 42.0 2 1 1 55.060 27.530 0.3000 3.7703
1.493 4.0 9.0 2 1 3 62.119 31.059 0.3349 4.2084
1.480 14.0 33.0 2 0 4 62.688 31.344 0.3377 4.2431
1.364 6.0 15.0 1 1 6 68.760 34.380 0.3665 4.6061
1.337 6.0 16.0 2 2 0 70.309 35.154 0.3737 4.6967
1.279 2.0 6.0 1 0 7 74.029 37.014 0.3908 4.9107
1.264 10.0 28.0 2 1 5 75.029 37.515 0.3953 4.9673
1.250 4.0 11.0 3 0 1 76.017 38.009 0.3997 5.0229
1.189 2.0 6.0 0 0 8 80.725 40.362 0.4204 5.2827
1.172 2.0 6.0 3 0 3 82.136 41.068 0.4264 5.3588
1.166 6.0 18.0 2 2 4 82.659 41.330 0.4287 5.3868
1.160 4.0 12.0 3 1 2 83.146 41.573 0.4307 5.4128
1.060 2.0 7.0 2 1 7 93.217 46.609 0.4717 5.9275
1.051 4.0 13.0 3 0 5 94.178 47.089 0.4754 5.9743
1.043 4.0 13.0 3 2 1 95.139 47.570 0.4791 6.0207
1.018 2.0 7.0 1 0 9 98.315 49.158 0.4911 6.1709
1.007 2.0 7.0 2 0 8 99.801 49.900 0.4965 6.2395
0.996 2.0 7.0 3 2 3 101.217 50.609 0.5017 6.3040
0.955 4.0 15.0 3 1 6 107.444 53.722 0.5233 6.5758
0.946 4.0 15.0 4 0 0 108.959 54.479 0.5283 6.6390
0.924 2.0 8.0 3 0 7 112.836 56.418 0.5408 6.7956
0.919 2.0 8.0 3 2 5 113.857 56.928 0.5440 6.8355
0.913 2.0 8.0 4 1 1 114.904 57.452 0.5472 6.8759
0.896 4.0 16.0 2 1 9 118.434 59.217 0.5577 7.0078
0.889 2.0 8.0 2 2 8 120.099 60.049 0.5624 7.0677
0.881 2.0 8.0 4 1 3 121.720 60.860 0.5670 7.1246
0.879 2.0 8.0 4 0 4 122.331 61.165 0.5686 7.1457
0.846 2.0 8.0 4 2 0 131.029 65.514 0.5907 7.4234
0.830 2.0 8.0 3 2 7 135.991 67.996 0.6018 7.5628
0.826 4.0 17.0 4 1 5 137.384 68.692 0.6047 7.5994
0.810 2.0 9.0 3 0 9 143.878 71.939 0.6171 7.7551
0.797 4.0 18.0 4 2 4 150.028 75.014 0.6270 7.8796
0.792 2.0 9.0 0 0 12 152.622 76.311 0.6307 7.9253
软件Jade和PDF标准谱图文件比较大200多M。我尝试给你发一下。不知道能不能成功,所以给你发个链接:
参考:http://emuch.net/bbs/viewthread.php?tid=1948097
或下载:http://www.namipan.com/d/MDI%20Jade%205.0.rar/286d746277f4e991ee3e3cb5bf49be954c0e96a554d57f11
本文来自: 小木虫论坛 http://emuch.net/bbs/viewthread.php?tid=1948097
本文来自: 小木虫论坛 http://emuch.net/bbs/viewthread.php?tid=2413063
下面是锐钛矿的标准谱图:
PDF#21-1272: QM=Star(+); d=(Unknown); I=(Unknown)
Anatase, syn
Ti O2 (Colorless)
Radiation=CuKa1 Lambda=1.5406 Filter=
Calibration= d-Cutoff= I/Ic(RIR)=3.3
Ref= Natl. Bur. Stand. (U.S.) Monogr. 25, 7 82 (1969)
Tetragonal - Powder Diffraction, I41/amd (141) Z=4 mp=
Cell=3.7852x9.5139 Pearson=tI12 (O2 Ti)
Density(c)=3.893 Density(m)=5.01A Mwt=79.90 Vol=136.31 F(30)=74.2(.0116,35)
Ref= Ibid.
Strong Line: 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: 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.
See ICSD 9852 (PDF 71-1166).
d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d
3.520 100.0 100.0 1 0 1 25.281 12.640 0.1420 1.7850
2.431 10.0 14.0 1 0 3 36.946 18.473 0.2057 2.5846
2.378 20.0 30.0 0 0 4 37.800 18.900 0.2103 2.6422
2.332 10.0 15.0 1 1 2 38.575 19.288 0.2144 2.6943
1.892 35.0 65.0 2 0 0 48.049 24.024 0.2643 3.3209
1.699 20.0 41.0 1 0 5 53.890 26.945 0.2941 3.6962
1.666 20.0 42.0 2 1 1 55.060 27.530 0.3000 3.7703
1.493 4.0 9.0 2 1 3 62.119 31.059 0.3349 4.2084
1.480 14.0 33.0 2 0 4 62.688 31.344 0.3377 4.2431
1.364 6.0 15.0 1 1 6 68.760 34.380 0.3665 4.6061
1.337 6.0 16.0 2 2 0 70.309 35.154 0.3737 4.6967
1.279 2.0 6.0 1 0 7 74.029 37.014 0.3908 4.9107
1.264 10.0 28.0 2 1 5 75.029 37.515 0.3953 4.9673
1.250 4.0 11.0 3 0 1 76.017 38.009 0.3997 5.0229
1.189 2.0 6.0 0 0 8 80.725 40.362 0.4204 5.2827
1.172 2.0 6.0 3 0 3 82.136 41.068 0.4264 5.3588
1.166 6.0 18.0 2 2 4 82.659 41.330 0.4287 5.3868
1.160 4.0 12.0 3 1 2 83.146 41.573 0.4307 5.4128
1.060 2.0 7.0 2 1 7 93.217 46.609 0.4717 5.9275
1.051 4.0 13.0 3 0 5 94.178 47.089 0.4754 5.9743
1.043 4.0 13.0 3 2 1 95.139 47.570 0.4791 6.0207
1.018 2.0 7.0 1 0 9 98.315 49.158 0.4911 6.1709
1.007 2.0 7.0 2 0 8 99.801 49.900 0.4965 6.2395
0.996 2.0 7.0 3 2 3 101.217 50.609 0.5017 6.3040
0.955 4.0 15.0 3 1 6 107.444 53.722 0.5233 6.5758
0.946 4.0 15.0 4 0 0 108.959 54.479 0.5283 6.6390
0.924 2.0 8.0 3 0 7 112.836 56.418 0.5408 6.7956
0.919 2.0 8.0 3 2 5 113.857 56.928 0.5440 6.8355
0.913 2.0 8.0 4 1 1 114.904 57.452 0.5472 6.8759
0.896 4.0 16.0 2 1 9 118.434 59.217 0.5577 7.0078
0.889 2.0 8.0 2 2 8 120.099 60.049 0.5624 7.0677
0.881 2.0 8.0 4 1 3 121.720 60.860 0.5670 7.1246
0.879 2.0 8.0 4 0 4 122.331 61.165 0.5686 7.1457
0.846 2.0 8.0 4 2 0 131.029 65.514 0.5907 7.4234
0.830 2.0 8.0 3 2 7 135.991 67.996 0.6018 7.5628
0.826 4.0 17.0 4 1 5 137.384 68.692 0.6047 7.5994
0.810 2.0 9.0 3 0 9 143.878 71.939 0.6171 7.7551
0.797 4.0 18.0 4 2 4 150.028 75.014 0.6270 7.8796
0.792 2.0 9.0 0 0 12 152.622 76.311 0.6307 7.9253
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