| 查看: 439 | 回复: 2 | ||
[交流]
【求助】tetragonal CuInSe2 (JCPDF 75-0107),已有1人参与
|
|
tetragonal CuInSe2 (JCPDF 75-0107) 我要 这个数据， 更修要的是JCPDS ， 我有PDF2002，所以没有JCPDF 75-0107. 谢谢 rlatjd29@gmail.com 这是我的邮件。 |
回复此楼
★ ★
小木虫(金币+0.5):给个红包，谢谢回帖交流
nash603(金币+1):谢谢回贴交流！ 2010-09-04 21:36:10
小木虫(金币+0.5):给个红包，谢谢回帖交流
nash603(金币+1):谢谢回贴交流！ 2010-09-04 21:36:10
|
PDF#75-0107: QM=Calculated; d=Calculated; I=Calculated Lithium Gallium Silicon Oxide Li3 ( Ga Si O5 ) Radiation=CuKa1 Lambda=1.54060 Filter= Calibration= d-Cutoff=17.7 I/Ic(RIR)=1.54 Ref= Calculated from ICSD using POWD-12++ Orthorhombic - Powder Diffraction, P21nb (33) Z=4 mp= Cell=4.9283x5.4656x15.8617 Pearson=oP40 (?) Density(c)=3.087 Density(m)=3.740 Mwt=198.63 Vol=427.25 F(30)=587.2(.0015,33) Ref= Skakle, J.M.S., Fletcher, J.G., Howie, R.A., Lee, C.K., West, A.R. J. Solid State Chem., 98 33 (1992) Strong Line: 4.50/X 3.61/8 7.93/8 4.71/5 2.74/5 2.73/4 2.46/4 3.01/3 2.40/3 2.39/3 FIZ=041094: M R(Bragg)=0.0642. Calc. density unusual but tolerable. ITF This entry was previously Cu In Se2, ICSD 028740 Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d 7.930 77.2 43.5 0 0 2 11.147 5.574 0.0630 0.7922 5.167 0.7 0.6 0 1 1 17.145 8.573 0.0968 1.2159 4.706 48.6 46.2 1 0 1 18.840 9.420 0.1062 1.3350 4.500 100.0 99.4 0 1 2 19.710 9.855 0.1111 1.3961 3.965 3.0 3.4 0 0 4 22.402 11.201 0.1261 1.5845 3.800 7.3 8.6 0 1 3 23.390 11.695 0.1316 1.6534 3.605 80.6 100.0 1 0 3 24.675 12.337 0.1387 1.7429 3.323 26.5 35.7 1 1 2 26.804 13.402 0.1505 1.8907 3.209 12.8 17.8 0 1 4 27.772 13.886 0.1558 1.9576 3.009 33.2 49.4 1 1 3 29.661 14.830 0.1661 2.0879 2.743 46.5 75.9 0 1 5 32.610 16.305 0.1822 2.2901 2.732 40.0 65.6 0 2 0 32.743 16.372 0.1830 2.2992 2.693 7.3 12.1 1 1 4 33.239 16.620 0.1857 2.3331 2.693 7.3 12.1 0 2 1 33.239 16.620 0.1857 2.3331 2.667 0.6 1.0 1 0 5 33.568 16.784 0.1874 2.3555 2.643 0.4 0.7 0 0 6 33.880 16.940 0.1891 2.3767 2.583 1.8 3.1 0 2 2 34.691 17.345 0.1935 2.4318 2.464 39.0 70.9 2 0 0 36.431 18.216 0.2029 2.5498 2.427 8.7 16.0 0 2 3 36.998 18.499 0.2060 2.5881 2.397 29.5 55.2 1 1 5 37.486 18.743 0.2086 2.6210 2.390 27.6 51.8 1 2 0 37.604 18.802 0.2092 2.6290 2.379 10.1 19.0 0 1 6 37.770 18.885 0.2101 2.6402 2.363 4.9 9.3 1 2 1 38.045 19.022 0.2116 2.6587 2.353 7.1 13.5 2 0 2 38.214 19.107 0.2125 2.6701 2.288 5.9 11.5 1 2 2 39.342 19.671 0.2185 2.7458 2.250 0.7 1.4 0 2 4 40.036 20.018 0.2222 2.7923 2.224 0.1 0.2 2 1 1 40.525 20.262 0.2248 2.8249 2.177 6.1 12.5 1 2 3 41.427 20.714 0.2296 2.8851 2.161 11.3 23.4 2 1 2 41.757 20.878 0.2313 2.9070 2.143 3.3 6.9 1 1 6 42.130 21.065 0.2333 2.9319 2.093 2.1 4.5 2 0 4 43.184 21.592 0.2389 3.0017 2.093 2.1 4.5 0 1 7 43.184 21.592 0.2389 3.0017 2.067 2.5 5.4 0 2 5 43.747 21.874 0.2418 3.0390 2.067 2.5 5.4 2 1 3 43.747 21.874 0.2418 3.0390 2.058 5.7 12.4 1 0 7 43.943 21.972 0.2429 3.0519 1.982 1.4 3.2 0 0 8 45.722 22.861 0.2522 3.1690 1.954 4.8 11.0 2 1 4 46.419 23.209 0.2558 3.2146 1.926 5.3 12.3 1 1 7 47.132 23.566 0.2595 3.2612 1.908 0.3 0.7 1 2 5 47.598 23.799 0.2619 3.2916 1.900 0.1 0.2 0 2 6 47.832 23.916 0.2631 3.3068 1.863 3.8 9.1 0 1 8 48.821 24.411 0.2683 3.3711 1.833 11.8 28.8 2 1 5 49.689 24.845 0.2727 3.4273 1.830 11.4 27.9 2 2 0 49.784 24.892 0.2732 3.4333 1.818 3.6 8.9 2 2 1 50.137 25.068 0.2750 3.4561 1.783 1.4 3.5 2 2 2 51.185 25.592 0.2804 3.5236 1.775 0.7 1.8 0 3 2 51.419 25.710 0.2816 3.5386 1.772 0.5 1.3 1 2 6 51.505 25.752 0.2820 3.5441 1.743 7.2 18.5 1 1 8 52.443 26.221 0.2868 3.6041 1.743 7.2 18.5 0 2 7 52.443 26.221 0.2868 3.6041 1.729 4.8 12.4 2 2 3 52.899 26.449 0.2891 3.6332 1.722 3.0 7.8 0 3 3 53.127 26.564 0.2903 3.6478 1.711 4.6 12.0 2 1 6 53.484 26.742 0.2921 3.6704 1.699 0.3 0.8 1 3 1 53.920 26.960 0.2943 3.6981 1.670 8.1 21.7 1 3 2 54.917 27.459 0.2993 3.7613 1.659 1.5 4.0 1 0 9 55.313 27.656 0.3013 3.7862 1.659 1.5 4.0 2 2 4 55.313 27.656 0.3013 3.7862 1.655 0.8 2.2 0 3 4 55.457 27.729 0.3020 3.7953 1.644 1.0 2.7 1 2 7 55.866 27.933 0.3041 3.8211 1.634 2.2 6.0 3 0 1 56.250 28.125 0.3060 3.8452 1.626 0.7 1.9 1 3 3 56.552 28.276 0.3075 3.8642 1.604 0.4 1.1 0 2 8 57.368 28.684 0.3116 3.9152 1.595 1.0 2.8 2 1 7 57.742 28.871 0.3134 3.9385 1.586 11.1 31.3 0 0 10 58.107 29.053 0.3152 3.9612 1.586 11.1 31.3 2 2 5 58.107 29.053 0.3152 3.9612 1.579 21.1 59.9 0 3 5 58.361 29.180 0.3165 3.9770 1.568 7.5 21.4 3 0 3 58.813 29.407 0.3187 4.0051 1.568 7.5 21.4 1 3 4 58.813 29.407 0.3187 4.0051 1.565 4.0 11.4 3 1 1 58.946 29.473 0.3194 4.0134 1.543 2.4 7.0 3 1 2 59.888 29.944 0.3240 4.0716 1.543 2.4 7.0 2 0 8 59.888 29.944 0.3240 4.0716 1.526 2.1 6.2 1 2 8 60.634 30.317 0.3277 4.1175 1.523 1.1 3.2 0 1 10 60.750 30.375 0.3282 4.1247 1.507 2.0 5.9 3 1 3 61.438 30.719 0.3316 4.1668 1.504 1.1 3.3 2 2 6 61.584 30.792 0.3323 4.1757 1.504 1.1 3.3 1 3 5 61.584 30.792 0.3323 4.1757 1.500 0.4 1.2 0 3 6 61.791 30.896 0.3333 4.1884 1.486 2.8 8.4 2 1 8 62.420 31.210 0.3364 4.2268 1.481 1.4 4.2 0 2 9 62.673 31.337 0.3376 4.2422 1.462 0.5 1.5 3 1 4 63.571 31.785 0.3419 4.2966 1.458 0.3 0.9 2 3 1 63.747 31.873 0.3428 4.3073 1.458 0.3 0.9 3 0 5 63.747 31.873 0.3428 4.3073 1.440 0.4 1.2 2 3 2 64.647 32.324 0.3471 4.3616 1.435 2.6 8.1 1 3 6 64.923 32.462 0.3484 4.3782 1.423 2.2 6.9 2 2 7 65.509 32.754 0.3512 4.4132 1.419 2.6 8.2 0 3 7 65.709 32.855 0.3521 4.4252 1.419 2.6 8.2 1 2 9 65.709 32.855 0.3521 4.4252 1.409 17.5 55.6 3 2 0 66.256 33.128 0.3548 4.4579 1.409 17.5 55.6 3 1 5 66.256 33.128 0.3548 4.4579 1.394 0.3 1.0 0 1 11 67.072 33.536 0.3586 4.5064 1.386 1.3 4.2 2 1 9 67.510 33.755 0.3607 4.5324 1.386 1.3 4.2 3 2 2 67.510 33.755 0.3607 4.5324 1.383 1.4 4.5 1 0 11 67.639 33.820 0.3613 4.5400 1.371 3.0 9.8 0 2 10 68.318 34.159 0.3645 4.5801 1.366 1.1 3.6 0 4 0 68.628 34.314 0.3659 4.5984 1.360 2.3 7.6 3 2 3 68.965 34.483 0.3675 4.6182 1.360 2.3 7.6 0 4 1 68.965 34.483 0.3675 4.6182 1.352 0.5 1.7 3 1 6 69.466 34.733 0.3698 4.6475 1.346 0.4 1.3 0 4 2 69.785 34.892 0.3713 4.6661 1.344 0.6 2.0 2 2 8 69.891 34.945 0.3718 4.6723 1.341 0.5 1.7 0 3 8 70.085 35.043 0.3727 4.6836 1.341 0.5 1.7 1 1 11 70.085 35.043 0.3727 4.6836 1.333 5.7 19.1 2 0 10 70.555 35.277 0.3749 4.7110 1.330 14.5 48.8 2 3 5 70.783 35.392 0.3759 4.7242 1.330 14.5 48.8 3 0 7 70.783 35.392 0.3759 4.7242 1.326 6.7 22.6 3 2 4 70.979 35.489 0.3768 4.7356 1.321 4.0 13.5 1 2 10 71.302 35.651 0.3783 4.7543 1.321 4.0 13.5 0 0 12 71.302 35.651 0.3783 4.7543 1.316 2.2 7.5 1 4 0 71.605 35.803 0.3797 4.7718 1.312 1.1 3.8 1 4 1 71.890 35.945 0.3810 4.7882 1.298 1.3 4.5 1 4 2 72.741 36.370 0.3849 4.8371 1.294 4.5 15.6 1 3 8 73.036 36.518 0.3863 4.8541 1.294 4.5 15.6 2 1 10 73.036 36.518 0.3863 4.8541 1.292 2.6 9.0 3 1 7 73.176 36.588 0.3869 4.8620 1.292 2.6 9.0 0 4 4 73.176 36.588 0.3869 4.8620 1.284 1.7 5.9 0 1 12 73.675 36.837 0.3892 4.8905 1.281 1.0 3.5 2 3 6 73.904 36.952 0.3902 4.9035 1.277 1.3 4.6 1 4 3 74.151 37.075 0.3913 4.9176 1.275 0.8 2.8 0 2 11 74.312 37.156 0.3921 4.9268 1.269 0.7 2.5 2 2 9 74.714 37.357 0.3939 4.9495 1.266 0.4 1.4 0 3 9 74.904 37.452 0.3947 4.9602 1.254 0.1 0.4 0 4 5 75.729 37.865 0.3984 5.0068 1.249 0.1 0.4 1 4 4 76.108 38.054 0.4001 5.0280 1.243 0.4 1.4 3 2 6 76.572 38.286 0.4022 5.0540 1.243 0.4 1.4 1 1 12 76.572 38.286 0.4022 5.0540 1.234 0.4 1.4 1 2 11 77.201 38.600 0.4050 5.0890 1.232 1.4 5.1 4 0 0 77.368 38.684 0.4057 5.0983 1.232 1.4 5.1 3 1 8 77.368 38.684 0.4057 5.0983 1.230 1.3 4.7 2 3 7 77.529 38.765 0.4064 5.1073 1.226 0.6 2.2 1 3 9 77.785 38.893 0.4076 5.1215 1.217 0.5 1.8 4 0 2 78.498 39.249 0.4107 5.1609 1.217 0.5 1.8 3 3 1 78.498 39.249 0.4107 5.1609 1.213 0.4 1.5 2 1 11 78.777 39.389 0.4119 5.1762 1.213 0.4 1.5 0 4 6 78.777 39.389 0.4119 5.1762 1.205 2.8 10.4 3 3 2 79.403 39.701 0.4146 5.2106 1.201 1.6 6.0 3 0 9 79.733 39.867 0.4161 5.2287 1.198 2.1 7.8 4 1 1 79.979 39.989 0.4171 5.2421 1.198 2.1 7.8 2 2 10 79.979 39.989 0.4171 5.2421 1.195 2.0 7.5 2 4 0 80.197 40.098 0.4181 5.2539 1.195 2.0 7.5 3 2 7 80.197 40.098 0.4181 5.2539 1.191 1.3 4.9 2 4 1 80.545 40.273 0.4196 5.2729 1.191 1.3 4.9 0 1 13 80.545 40.273 0.4196 5.2729 1.188 1.8 6.8 4 1 2 80.811 40.405 0.4208 5.2873 1.188 1.8 6.8 3 3 3 80.811 40.405 0.4208 5.2873 1.184 2.0 7.6 1 0 13 81.139 40.570 0.4222 5.3051 1.181 1.2 4.5 2 4 2 81.366 40.683 0.4231 5.3173 1.178 0.2 0.8 1 4 6 81.651 40.826 0.4244 5.3327 1.178 0.2 0.8 2 3 8 81.651 40.826 0.4244 5.3327 1.176 0.1 0.4 4 0 4 81.789 40.895 0.4250 5.3402 1.173 0.2 0.8 3 1 9 82.038 41.019 0.4260 5.3535 1.172 0.3 1.1 4 1 3 82.178 41.089 0.4266 5.3610 1.170 1.1 4.2 0 4 7 82.339 41.170 0.4273 5.3697 1.165 1.9 7.3 2 4 3 82.730 41.365 0.4290 5.3906 1.165 1.9 7.3 2 0 12 82.730 41.365 0.4290 5.3906 1.162 1.0 3.8 1 3 10 82.994 41.497 0.4301 5.4047 1.157 1.0 3.9 1 2 12 83.436 41.718 0.4320 5.4282 1.157 1.0 3.9 1 1 13 83.436 41.718 0.4320 5.4282 1.150 0.5 1.9 4 1 4 84.083 42.042 0.4347 5.4625 1.148 0.6 2.3 3 2 8 84.288 42.144 0.4356 5.4733 1.144 0.3 1.2 2 4 4 84.633 42.317 0.4370 5.4915 1.139 1.3 5.1 1 4 7 85.087 42.543 0.4389 5.5153 1.139 1.3 5.1 2 1 12 85.087 42.543 0.4389 5.5153 1.132 0.7 2.8 0 0 14 85.701 42.850 0.4415 5.5475 1.132 0.7 2.8 2 2 11 85.701 42.850 0.4415 5.5475 1.130 0.4 1.6 0 3 11 85.884 42.942 0.4422 5.5570 1.126 0.2 0.8 2 3 9 86.272 43.136 0.4438 5.5772 1.124 0.4 1.6 4 2 0 86.524 43.262 0.4449 5.5903 1.124 0.4 1.6 4 1 5 86.524 43.262 0.4449 5.5903 1.120 0.6 2.4 4 2 1 86.867 43.433 0.4463 5.6080 1.118 0.3 1.2 4 0 6 87.073 43.536 0.4471 5.6187 1.118 0.3 1.2 2 4 5 87.073 43.536 0.4471 5.6187 1.114 0.5 2.0 0 2 13 87.478 43.739 0.4488 5.6395 1.112 0.4 1.6 4 2 2 87.678 43.839 0.4496 5.6498 1.109 0.5 2.0 0 1 14 87.947 43.974 0.4507 5.6636 1.107 0.8 3.2 3 3 6 88.111 44.056 0.4514 5.6720 1.098 1.4 5.7 4 2 3 89.030 44.515 0.4551 5.7188 1.096 1.0 4.1 1 4 8 89.215 44.608 0.4558 5.7282 1.094 1.0 4.1 4 1 6 89.498 44.749 0.4570 5.7426 1.090 0.3 1.2 0 5 1 89.875 44.938 0.4585 5.7616 |
2楼2010-09-04 21:14:32
这个总对了吧！
★
小木虫(金币+0.5):给个红包，谢谢回帖交流
小木虫(金币+0.5):给个红包，谢谢回帖交流
|
PDF#81-1936: QM=Calculated; d=Calculated; I=Calculated Copper Indium Selenide Cu In Se2 Radiation=CuKa1 Lambda=1.54060 Filter= Calibration= d-Cutoff=17.7 I/Ic(RIR)=11.47 Ref= Calculated from ICSD using POWD-12++ (1997) Tetragonal - (Unknown), I-42d (122) Z=4 mp= Cell=5.781x11.6422 Pearson=tI16 (Cu Fe S2) Density(c)=5.740 Density(m)=6.53A Mwt=336.29 Vol=389.08 F(30)=999.9(.0001,31) Ref= Knight, K.S. Mater. Res. Bull., 27 161 (1992) Strong Line: 3.35/X 2.05/4 2.04/3 1.74/2 1.75/1 1.18/1 1.33/1 2.52/1 1.45/1 5.18/1 FIZ=073351: ATF The crystal structures of CuInSe2 and CuInTe2 d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d 5.177 4.2 2.7 1 0 1 17.111 8.555 0.0966 1.2135 3.345 100.0 100.0 1 1 2 26.624 13.312 0.1495 1.8782 3.222 4.1 4.3 1 0 3 27.663 13.831 0.1552 1.9500 2.910 0.3 0.3 0 0 4 30.692 15.346 0.1718 2.1588 2.890 0.6 0.7 2 0 0 30.911 15.455 0.1730 2.1737 2.588 0.1 0.1 2 0 2 34.619 17.309 0.1931 2.4270 2.523 4.7 6.2 2 1 1 35.540 17.770 0.1981 2.4895 2.159 1.3 2.0 1 0 5 41.788 20.894 0.2315 2.9091 2.151 1.4 2.2 2 1 3 41.955 20.978 0.2324 2.9202 2.050 40.2 65.7 2 0 4 44.120 22.060 0.2438 3.0636 2.043 31.7 52.0 2 2 0 44.280 22.140 0.2446 3.0741 1.901 1.5 2.6 3 0 1 47.804 23.902 0.2630 3.3050 1.828 0.1 0.2 3 1 0 49.840 24.920 0.2735 3.4370 1.752 11.1 21.2 1 1 6 52.135 26.067 0.2852 3.5844 1.744 21.1 40.5 3 1 2 52.417 26.209 0.2867 3.6025 1.730 0.9 1.7 2 1 5 52.873 26.436 0.2890 3.6315 1.725 0.5 1.0 3 0 3 53.013 26.506 0.2897 3.6405 1.672 0.2 0.4 2 2 4 54.840 27.420 0.2989 3.7564 1.611 0.1 0.2 2 0 6 57.126 28.563 0.3104 3.9001 1.598 0.2 0.4 1 0 7 57.622 28.811 0.3128 3.9311 1.588 0.2 0.4 3 2 1 58.018 29.009 0.3148 3.9557 1.548 0.1 0.2 3 1 4 59.679 29.839 0.3230 4.0587 1.481 1.3 2.9 3 2 3 62.639 31.319 0.3374 4.2401 1.455 2.4 5.5 0 0 8 63.917 31.958 0.3436 4.3175 1.445 4.4 10.2 4 0 0 64.413 32.207 0.3460 4.3475 1.402 0.1 0.2 4 0 2 66.618 33.309 0.3565 4.4795 1.398 0.6 1.4 2 1 7 66.829 33.415 0.3575 4.4920 1.392 0.5 1.2 4 1 1 67.194 33.597 0.3592 4.5137 1.330 6.3 15.8 3 1 6 70.747 35.373 0.3758 4.7221 1.326 5.5 13.9 3 3 2 70.983 35.492 0.3769 4.7358 1.320 1.0 2.5 3 2 5 71.366 35.683 0.3786 4.7580 1.318 0.9 2.3 4 1 3 71.484 35.742 0.3792 4.7648 1.299 0.1 0.3 2 0 8 72.684 36.342 0.3847 4.8339 1.294 0.1 0.3 4 0 4 73.034 36.517 0.3863 4.8539 1.292 0.1 0.3 4 2 0 73.151 36.576 0.3868 4.8606 1.262 0.1 0.3 4 2 2 75.207 37.603 0.3961 4.9773 1.262 0.1 0.3 1 0 9 75.207 37.603 0.3961 4.9773 1.259 0.4 1.1 3 0 7 75.437 37.719 0.3971 4.9903 1.201 0.4 1.1 4 1 5 79.776 39.888 0.4163 5.2310 1.185 3.7 10.4 2 2 8 81.047 40.524 0.4218 5.3001 1.181 7.1 20.1 4 2 4 81.387 40.693 0.4232 5.3185 1.156 0.3 0.9 2 1 9 83.494 41.747 0.4322 5.4313 1.154 0.2 0.6 3 2 7 83.719 41.860 0.4332 5.4432 1.150 0.6 1.7 5 0 1 84.056 42.028 0.4346 5.4611 1.138 0.1 0.3 3 1 8 85.147 42.573 0.4391 5.5185 1.133 0.1 0.3 5 1 0 85.595 42.797 0.4410 5.5420 1.119 1.4 4.2 1 1 10 86.935 43.467 0.4466 5.6115 1.115 1.5 4.5 3 3 6 87.382 43.691 0.4484 5.6346 1.112 3.0 9.0 5 1 2 87.605 43.803 0.4493 5.6461 1.108 0.5 1.5 5 0 3 88.079 44.040 0.4512 5.6704 |
3楼2010-09-06 16:43:18