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kaixinbenben

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[求助] 求助：ZrO2各晶形的XRD衍射峰位置

求助：ZrO2各晶形的XRD衍射峰位置；
如果有标准卡片是最好的！
谢谢大家！

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1楼2011-04-22 16:07:17

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zcy800204

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kaixinbenben(金币+5): 谢谢您的热忱，占用您时间了，XRD我了解很少，要方便的话，不如授人以渔吧！ 2011-04-22 23:03:03

PDF#65-2357: QM=Calculated; d=Calculated; I=Calculated
Zirconium Oxide
Zr O2
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= d-Cutoff= I/Ic(RIR)=6.24
Ref= Calculated from NIST using POWD-12++

Monoclinic - (Unknown),  P21/c (14) Z=4 mp=
Cell=5.22x5.27x5.38<99.46> Pearson=mP12 (O2 Zr)
Density(c)=5.605 Density(m)=6.000 Mwt=123.22 Vol=145.99 F(30)=534.6(.0015,37)
Ref= S.Naray-Szabo
Z. Kristallogr., Kristallgeom., Kristallphys., Kristallchem., A94 414 (1936)
Strong Line: 3.21/X 2.87/6 1.87/3 1.84/2 2.02/2 2.65/1 2.57/1 2.64/1 1.67/1 2.01/1
NOTE:  N AL0370    6444 IB=Zr,O

d(A)    I(f) I(v) h  k  l  n^2  2-Theta Theta  1/(2d) 2pi/d
5.149 0.1 0.1 1  0  0       17.207 8.604  0.0971  1.2203
3.739 0.1 0.1 0  1  1       23.775  11.887  0.1337  1.6803
3.682 0.1 0.1 1  1  0       24.145  12.072  0.1358  1.7060
3.207  100.0  100.0  -1  1  1       27.791  13.896  0.1559  1.9589
2.871 63.7 71.1 1  1  1       31.118  15.559  0.1741  2.1880
2.653 12.3 14.9 0  0  2       33.751  16.876  0.1884  2.3680
2.635 11.2 13.6 0  2  0       33.995  16.997  0.1898  2.3845
2.574 11.5 14.3 2  0  0       34.818  17.409  0.1942  2.4405
2.534 0.7 0.9  -1  0  2       35.388  17.694  0.1973  2.4792
2.360 0.2 0.3 0  2  1       38.098  19.049  0.2119  2.6623
2.313 1.2 1.7 2  1  0       38.901  19.450  0.2161  2.7162
2.284 0.1 0.1  -1  1  2       39.419  19.710  0.2189  2.7510
2.245 0.1 0.1  -2  1  1       40.124  20.062  0.2227  2.7982
2.215 0.4 0.6 1  0  2       40.699  20.350  0.2257  2.8366
2.207 0.3 0.4  -1  2  1       40.846  20.423  0.2265  2.8464
2.088 0.1 0.2 1  2  1       43.288  21.644  0.2394  3.0086
2.042 0.2 0.3 1  1  2       44.323  22.161  0.2449  3.0769
2.021 17.2 27.3  -2  0  2       44.804  22.402  0.2474  3.1087
2.014 9.7 15.4 2  1  1       44.964  22.482  0.2482  3.1192
1.887 0.6 1.0  -2  1  2       48.180  24.090  0.2649  3.3295
1.869 27.0 46.3 0  2  2       48.659  24.329  0.2674  3.3605
1.841 24.9 43.4 2  2  0       49.454  24.727  0.2715  3.4120
1.826 0.7 1.2  -1  2  2       49.884  24.942  0.2737  3.4398
1.806 0.1 0.2  -2  2  1       50.471  25.235  0.2767  3.4777
1.712 8.9 16.7 2  0  2       53.465  26.732  0.2920  3.6692
1.695 0.3 0.6 1  2  2       54.039  27.019  0.2949  3.7057
1.673 10.3 19.7  -1  1  3       54.822  27.411  0.2988  3.7553
1.667 5.6 10.8 0  3  1       55.018  27.509  0.2998  3.7676
1.633 9.6 18.9 3  1  0       56.280  28.140  0.3061  3.8471
1.633 9.6 18.9  -3  1  1       56.280  28.140  0.3061  3.8471
1.628 5.3 10.4 2  1  2       56.455  28.227  0.3070  3.8581
1.611 8.1 16.1  -1  3  1       57.123  28.562  0.3103  3.8999
1.603 6.0 12.0  -2  2  2       57.411  28.705  0.3118  3.9179
1.563 9.6 19.7  -3  0  2       59.050  29.525  0.3199  4.0198
1.563 9.6 19.7 1  3  1       59.050  29.525  0.3199  4.0198
1.526 7.9 16.6 1  1  3       60.629  30.315  0.3276  4.1172
1.495 7.2 15.4 3  1  1       61.999  31.000  0.3343  4.2011
1.468 0.1 0.2 0  2  3       63.265  31.633  0.3404  4.2781
1.466 0.1 0.2 0  3  2       63.389  31.695  0.3410  4.2856
1.466 0.1 0.2  -1  2  3       63.389  31.695  0.3410  4.2856
1.451 0.1 0.2 2  3  0       64.124  32.062  0.3446  4.3301
1.435 3.9 8.7 2  2  2       64.887  32.443  0.3482  4.3760
1.376 0.1 0.2 1  3  2       68.062  34.031  0.3633  4.5650
1.367 0.1 0.2 2  3  1       68.548  34.274  0.3655  4.5936
1.364 0.1 0.2 1  2  3       68.760  34.380  0.3665  4.6061
1.357 0.1 0.2  -2  2  3       69.116  34.558  0.3682  4.6270
1.343 0.1 0.2 3  0  2       69.942  34.971  0.3720  4.6753
1.343 0.1 0.2  -3  2  2       69.942  34.971  0.3720  4.6753
1.339 0.1 0.2  -1  0  4       70.235  35.118  0.3734  4.6924
1.326 2.9 7.0 0  0  4       70.985  35.492  0.3769  4.7359
1.326 2.9 7.0  -2  3  2       70.985  35.492  0.3769  4.7359
1.317 3.2 7.8 0  4  0       71.557  35.778  0.3795  4.7690
1.314 1.7 4.1 2  1  3       71.739  35.869  0.3803  4.7795
1.305 4.3 10.6  -3  1  3       72.320  36.160  0.3830  4.8130
1.302 2.3 5.7 3  1  2       72.528  36.264  0.3840  4.8249
1.287 2.4 6.0 4  0  0       73.510  36.755  0.3884  4.8811
1.287 2.4 6.0 0  1  4       73.510  36.755  0.3884  4.8811
1.278 0.1 0.3 0  4  1       74.084  37.042  0.3910  4.9138
1.276 0.1 0.3 1  4  0       74.240  37.120  0.3917  4.9227
1.267 1.4 3.5  -2  0  4       74.871  37.436  0.3946  4.9584
1.263 0.7 1.8  -4  1  1       75.162  37.581  0.3959  4.9748
1.250 0.2 0.5 4  1  0       76.047  38.023  0.3998  5.0246
1.244 3.8 9.8  -1  3  3       76.450  38.225  0.4016  5.0471
1.241 2.6 6.7  -4  0  2       76.731  38.366  0.4029  5.0629
1.228 3.5 9.1 3  3  0       77.684  38.842  0.4071  5.1159
1.228 3.5 9.1  -3  3  1       77.684  38.842  0.4071  5.1159
1.226 1.8 4.7 2  3  2       77.833  38.916  0.4078  5.1241
1.208 0.1 0.3  -4  1  2       79.234  39.617  0.4139  5.2014
1.208 0.1 0.3 2  2  3       79.234  39.617  0.4139  5.2014
1.203 0.1 0.3 1  1  4       79.558  39.779  0.4153  5.2191
1.199 0.1 0.3  -3  2  3       79.891  39.946  0.4168  5.2373
1.197 0.1 0.3 3  2  2       80.093  40.046  0.4176  5.2483
1.193 0.1 0.3  -1  2  4       80.372  40.186  0.4189  5.2635
1.185 2.2 6.0 0  2  4       81.089  40.544  0.4219  5.3024
1.180 3.7 10.1 1  3  3       81.452  40.726  0.4235  5.3220
1.180 3.7 10.1 0  4  2       81.452  40.726  0.4235  5.3220
1.176 1.9 5.2  -2  3  3       81.788  40.894  0.4249  5.3401
1.172 1.8 4.9 2  4  0       82.107  41.054  0.4263  5.3572
1.169 1.0 2.7  -1  4  2       82.437  41.219  0.4277  5.3749
1.166 2.5 6.9 3  3  1       82.665  41.333  0.4287  5.3871
1.166 2.5 6.9  -4  2  1       82.665  41.333  0.4287  5.3871
1.163 1.3 3.6  -2  4  1       82.892  41.446  0.4297  5.3992
1.156 2.0 5.5 4  2  0       83.514  41.757  0.4323  5.4324
1.142 3.0 8.4  -2  2  4       84.832  42.416  0.4378  5.5020
1.132 0.1 0.3 1  4  2       85.727  42.864  0.4416  5.5489
1.122 2.7 7.7  -4  2  2       86.640  43.320  0.4453  5.5963
1.119 1.5 4.3 1  2  4       86.959  43.479  0.4467  5.6128
1.115 2.3 6.6 3  1  3       87.322  43.661  0.4481  5.6315
1.107 0.9 2.6 2  0  4       88.133  44.067  0.4515  5.6732
1.107 0.9 2.6  -4  1  3       88.133  44.067  0.4515  5.6732
1.103 2.9 8.4  -2  4  2       88.517  44.258  0.4530  5.6927
1.089 0.8 2.4 4  0  2       89.937  44.968  0.4587  5.7647
1.083 0.1 0.3 2  1  4       90.581  45.290  0.4613  5.7970
1.074 0.1 0.3 2  3  3       91.631  45.816  0.4655  5.8494
1.069 1.7 5.1  -3  3  3       92.185  46.092  0.4677  5.8768
1.067 0.9 2.7 4  1  2       92.385  46.192  0.4684  5.8867
1.067 0.9 2.7 3  3  2       92.385  46.192  0.4684  5.8867
1.053 1.9 5.8  -1  1  5       93.987  46.993  0.4747  5.9650
1.049 1.0 3.1  -3  2  4       94.393  47.197  0.4762  5.9847
1.044 2.3 7.1 3  4  0       95.067  47.534  0.4788  6.0172
1.044 2.3 7.1 2  4  2       95.067  47.534  0.4788  6.0172
1.041 1.2 3.7  -4  2  3       95.449  47.725  0.4803  6.0355
1.038 0.1 0.3 4  3  0       95.779  47.889  0.4815  6.0513
1.032 0.1 0.3 1  5  0       96.485  48.242  0.4842  6.0849
1.027 0.1 0.3  -2  3  4       97.097  48.549  0.4865  6.1138
1.023 1.7 5.3  -2  1  5       97.612  48.806  0.4884  6.1380
1.023 1.7 5.3  -5  1  1       97.612  48.806  0.4884  6.1380
1.021 3.0 9.4 2  2  4       97.951  48.976  0.4897  6.1539
1.019 2.3 7.2  -1  5  1       98.095  49.047  0.4902  6.1606
1.018 1.2 3.8  -5  0  2       98.323  49.162  0.4911  6.1712
1.013 0.1 0.3  -2  4  3       98.919  49.459  0.4933  6.1989
1.013 0.1 0.3  -4  3  2       98.919  49.459  0.4933  6.1989
1.010 1.0 3.2 5  1  0       99.319  49.659  0.4948  6.2173
1.010 1.0 3.2  -4  0  4       99.319  49.659  0.4948  6.2173
1.007 3.2 10.2 3  4  1       99.776  49.888  0.4964  6.2384
1.007 3.2 10.2 4  2  2       99.776  49.888  0.4964  6.2384
0.999 0.1 0.3  -5  1  2    100.806  50.403  0.5002  6.2854
0.994 0.1 0.3 4  3  1    101.533  50.766  0.5028  6.3182
0.992 0.1 0.3  -4  1  4    101.809  50.904  0.5038  6.3306
0.989 1.5 4.9 1  1  5    102.255  51.128  0.5054  6.3506
0.979 0.1 0.3 0  5  2    103.694  51.847  0.5104  6.4144
0.975 0.1 0.3 3  0  4    104.378  52.189  0.5128  6.4443
0.975 0.1 0.3 2  5  0    104.378  52.189  0.5128  6.4443
0.973 0.1 0.3  -1  5  2    104.651  52.326  0.5138  6.4563
0.970 0.1 0.3  -5  2  1    105.108  52.554  0.5153  6.4761
0.970 0.1 0.3  -2  5  1    105.108  52.554  0.5153  6.4761
0.964 1.4 4.7 5  1  1    105.975  52.987  0.5183  6.5134
0.961 1.4 4.7  -3  1  5    106.549  53.274  0.5203  6.5379
0.958 0.8 2.7 3  1  4    106.920  53.460  0.5215  6.5537
0.958 0.8 2.7  -3  3  4    106.920  53.460  0.5215  6.5537
0.957 1.4 4.7 3  3  3    107.162  53.581  0.5223  6.5639
0.951 0.1 0.3 4  1  3    108.062  54.031  0.5253  6.6017
0.951 0.1 0.3 1  5  2    108.062  54.031  0.5253  6.6017
0.948 0.1 0.3 2  5  1    108.536  54.268  0.5269  6.6215
0.945 1.3 4.4 2  4  3    109.074  54.537  0.5287  6.6438
0.945 1.3 4.4  -5  1  3    109.074  54.537  0.5287  6.6438
0.943 1.7 5.8  -4  2  4    109.440  54.720  0.5299  6.6589
0.940 0.6 2.0 1  2  5    109.917  54.959  0.5315  6.6785
0.940 0.6 2.0 3  4  2    109.917  54.959  0.5315  6.6785
0.939 0.1 0.3  -1  4  4    110.211  55.105  0.5324  6.6904
0.934 1.6 5.5  -2  5  2    110.966  55.483  0.5348  6.7210
0.934 1.6 5.5 0  4  4    110.966  55.483  0.5348  6.7210
0.926 0.1 0.3  -4  4  1    112.547  56.273  0.5399  6.7842
0.926 0.1 0.3 4  3  2    112.547  56.273  0.5399  6.7842
0.920 1.5 5.2 4  4  0    113.564  56.782  0.5430  6.8241
0.917 1.2 4.2  -3  2  5    114.289  57.144  0.5453  6.8522
0.917 1.2 4.2  -1  3  5    114.289  57.144  0.5453  6.8522
0.914 0.7 2.5 3  2  4    114.786  57.393  0.5468  6.8714
0.914 0.7 2.5 2  1  5    114.786  57.393  0.5468  6.8714
0.913 1.1 3.9  -2  4  4    115.002  57.501  0.5475  6.8796
0.910 0.5 1.8 5  0  2    115.485  57.742  0.5489  6.8980
0.908 0.1 0.4 0  3  5    115.973  57.987  0.5504  6.9165
0.908 0.1 0.4 4  2  3    115.973  57.987  0.5504  6.9165
0.904 1.1 3.9  -1  5  3    116.702  58.351  0.5526  6.9439
0.904 1.1 3.9 0  5  3    116.702  58.351  0.5526  6.9439
0.903 1.2 4.3  -4  4  2    117.008  58.504  0.5535  6.9553
0.903 1.2 4.3  -5  2  3    117.008  58.504  0.5535  6.9553
0.901 0.6 2.1 1  4  4    117.366  58.683  0.5545  6.9686
0.898 1.2 4.3 3  5  0    118.055  59.028  0.5566  6.9940
0.898 1.2 4.3  -3  5  1    118.055  59.028  0.5566  6.9940
0.897 1.3 4.6  -5  3  1    118.312  59.156  0.5573  7.0034
0.897 1.3 4.6  -1  0  6    118.312  59.156  0.5573  7.0034
0.889 0.1 0.4 4  4  1    119.935  59.968  0.5620  7.0619
0.888 0.1 0.4 5  3  0    120.233  60.117  0.5628  7.0725
0.884 0.6 2.2  -1  1  6    121.125  60.563  0.5653  7.1039
0.884 0.6 2.2 0  0  6    121.125  60.563  0.5653  7.1039
0.882 0.9 3.3  -2  0  6    121.644  60.822  0.5667  7.1220
0.882 0.9 3.3  -4  1  5    121.644  60.822  0.5667  7.1220
0.879 1.4 5.1 1  5  3    122.344  61.172  0.5687  7.1461
0.878 0.6 2.2 0  6  0    122.560  61.280  0.5693  7.1535
0.877 0.7 2.6  -2  5  3    122.738  61.369  0.5697  7.1596
0.876 0.3 1.1  -4  3  4    123.125  61.562  0.5708  7.1728
0.876 0.3 1.1 2  2  5    123.125  61.562  0.5708  7.1728
0.873 1.5 5.5  -3  5  2    123.648  61.824  0.5722  7.1904
0.873 1.5 5.5 1  3  5    123.648  61.824  0.5722  7.1904
0.873 1.6 5.9 3  5  1    123.778  61.889  0.5725  7.1948
0.866 0.1 0.4 0  6  1    125.473  62.737  0.5770  7.2508
0.864 0.1 0.4  -3  4  4    126.110  63.055  0.5786  7.2715
0.862 0.1 0.4 3  4  3    126.454  63.227  0.5795  7.2826
0.858 0.7 2.6  -4  4  3    127.485  63.743  0.5821  7.3153
0.858 0.7 2.6  -6  0  2    127.485  63.743  0.5821  7.3153
0.858 0.7 2.6 6  0  0    127.685  63.843  0.5826  7.3216
0.858 0.7 2.6  -1  6  1    127.685  63.843  0.5826  7.3216
0.856 1.6 6.0 4  0  4    128.100  64.050  0.5837  7.3346
0.856 1.6 6.0 5  3  1    128.100  64.050  0.5837  7.3346
0.854 1.8 6.8  -3  3  5    128.803  64.402  0.5854  7.3564
0.852 0.7 2.6 3  3  4    129.262  64.631  0.5865  7.3704
0.847 1.0 3.8  -6  1  2    130.621  65.311  0.5898  7.4113
0.847 1.0 3.8 2  4  4    130.621  65.311  0.5898  7.4113
0.845 0.5 1.9 4  1  4    131.411  65.706  0.5916  7.4347
0.843 1.3 4.9  -5  3  3    131.960  65.980  0.5929  7.4507
0.840 0.7 2.7  -5  2  4    132.731  66.365  0.5947  7.4728
0.839 1.0 3.8 4  4  2    133.042  66.521  0.5954  7.4817
0.838 1.3 5.0 0  2  6    133.458  66.729  0.5963  7.4934
0.837 0.7 2.7 1  1  6    133.634  66.817  0.5967  7.4983
0.836 1.6 6.1  -2  2  6    134.071  67.035  0.5977  7.5105
0.833 1.6 6.2  -3  1  6    134.969  67.485  0.5996  7.5353
0.833 1.6 6.2 0  6  2    134.969  67.485  0.5996  7.5353

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2楼2011-04-22 16:25:06

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

kaixinbenben

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引用回帖:

Originally posted by zcy800204 at 2011-04-22 16:25:06:
PDF#65-2357: QM=Calculated; d=Calculated; I=Calculated
Zirconium Oxide
Zr O2
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= d-Cutoff= I/Ic(RIR)=6.24
Ref= Calculated from NIST using POWD- ...

灰常感谢您的回复！我其实想问的是ZrO2各种晶形（单斜相、四方相、立方相）的特征峰在哪里！还有您这些是从哪里查到的，如果方便的话，不如授人以渔吧！嘿嘿！

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3楼2011-04-22 22:59:42

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖