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如题,01-073-7070也可能是73-7070 谢谢,万分感谢 |
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csxray
铁杆木虫 (正式写手)
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【答案】应助回帖
苹果绿(金币+10): 谢谢 2011-04-20 09:40:57
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PDF#01-073-7070(RDB): QM=Star(S); d=Calculated; I=Calculated Nickel Tantalum Ni3 Ta Radiation=CuKá1 Lambda=1.5406 Filter= Calibration= 2T=10.424-104.965 I/Ic(RIR)=3.42 Ref: Zhao Jing-Tai, Gelato, L., Parthe, E. Acta Crystallogr., Sec. C,, v47 p479 (1991) Monoclinic - Powder Diffraction, P21/m (11) Z=4 mp= CELL: 4.5319 x 5.1253 x 8.632 <90.0 x 100.79 x 90.0> P.S=mP16.00 Density(c)=12.041 Density(m)= Mwt=357.05 Vol=196.95 F(30)=386.6(0.0021,37/0) Ref: Ibid. Strong Lines: 2.05/X 2.12/8 1.90/8 1.90/8 3.27/7 2.06/6 2.04/6 1.93/5 ANX: NO3. ICSD Collection Code: Z54304 . Wyckoff Sequence: f2 e4 (P121/M1). Unit Cell Data Source: Powder Diffraction. 2-Theta d(Å I(f) ( h k l ) Theta 1/(2d) 2pi/d n^210.424 8.4794 0.1 ( 0 0 1) 5.212 0.0590 0.7410 19.928 4.4518 4.2 ( 1 0 0) 9.964 0.1123 1.4114 20.709 4.2856 15.1 (-1 0 1) 10.355 0.1167 1.4661 24.238 3.6690 2.3 ( 1 0 1) 12.119 0.1363 1.7125 26.150 3.4050 22.9 (-1 0 2) 13.075 0.1468 1.8453 26.499 3.3610 43.8 ( 1 1 0) 13.249 0.1488 1.8695 27.277 3.2668 66.0 ( 0 1 2) 13.638 0.1531 1.9233 29.926 2.9834 12.2 ( 1 1 1) 14.963 0.1676 2.1061 31.519 2.8361 3.9 (-1 1 2) 15.760 0.1763 2.2154 31.630 2.8265 3.2 ( 0 0 3) 15.815 0.1769 2.2230 31.727 2.8180 16.8 ( 1 0 2) 15.864 0.1774 2.2297 34.220 2.6182 1.5 (-1 0 3) 17.110 0.1910 2.3998 34.986 2.5627 16.6 ( 0 2 0) 17.493 0.1951 2.4518 36.353 2.4694 2.6 ( 1 1 2) 18.176 0.2025 2.5445 38.582 2.3316 7.8 (-1 1 3) 19.291 0.2144 2.6948 39.868 2.2593 4.0 (-2 0 1) 19.934 0.2213 2.7810 40.493 2.2259 15.2 ( 2 0 0) 20.247 0.2246 2.8228 40.587 2.2210 19.4 ( 1 2 0) 20.294 0.2251 2.8290 41.002 2.1994 43.6 (-1 2 1) 20.501 0.2273 2.8567 41.125 2.1931 24.6 ( 0 2 2) 20.563 0.2280 2.8649 42.137 2.1428 5.3 (-2 0 2) 21.068 0.2333 2.9322 42.615 2.1199 84.9 ( 0 0 4) 21.307 0.2359 2.9640 43.018 2.1009 12.0 ( 1 2 1) 21.509 0.2380 2.9907 43.752 2.0674 19.3 (-2 1 1) 21.876 0.2419 3.0392 43.752 2.0674 19.3 (-1 0 4) 21.876 0.2419 3.0392 43.910 2.0603 64.9 ( 2 0 1) 21.955 0.2427 3.0496 44.198 2.0475 100.0 (-1 2 2) 22.099 0.2442 3.0687 44.332 2.0417 56.7 ( 2 1 0) 22.166 0.2449 3.0775 44.676 2.0267 1.8 ( 1 1 3) 22.338 0.2467 3.1002 45.863 1.9770 1.2 (-2 1 2) 22.932 0.2529 3.1782 46.311 1.9589 0.3 ( 0 1 4) 23.156 0.2552 3.2075 46.956 1.9335 48.4 (-2 0 3) 23.478 0.2586 3.2497 47.317 1.9196 8.6 (-1 1 4) 23.658 0.2605 3.2732 47.944 1.8959 76.4 ( 1 2 2) 23.972 0.2637 3.3141 47.944 1.8959 76.4 ( 0 2 3) 23.972 0.2637 3.3141 49.656 1.8345 4.1 ( 2 0 2) 24.828 0.2726 3.4250 49.746 1.8314 8.1 (-1 2 3) 24.873 0.2730 3.4308 50.403 1.8091 0.1 (-2 1 3) 25.201 0.2764 3.4732 51.027 1.7884 0.4 ( 1 0 4) 25.513 0.2796 3.5133 52.972 1.7272 1.1 ( 2 1 2) 26.486 0.2895 3.6378 53.803 1.7025 4.5 (-2 0 4) 26.901 0.2937 3.6906 54.029 1.6959 2.6 ( 0 0 5) 27.014 0.2948 3.7050 54.102 1.6938 2.3 (-2 2 1) 27.051 0.2952 3.7096 54.102 1.6938 2.3 (-1 0 5) 27.051 0.2952 3.7096 54.283 1.6885 6.9 ( 1 1 4) 27.142 0.2961 3.7211 54.565 1.6805 2.1 ( 2 2 0) 27.282 0.2975 3.7389 54.861 1.6721 14.2 ( 1 2 3) 27.431 0.2990 3.7576 55.886 1.6439 0.5 (-2 2 2) 27.943 0.3042 3.8222 56.274 1.6334 8.0 ( 0 2 4) 28.137 0.3061 3.8466 56.949 1.6157 0.7 (-2 1 4) 28.474 0.3095 3.8889 57.151 1.6104 4.1 (-1 2 4) 28.576 0.3105 3.9016 57.151 1.6104 4.1 ( 0 1 5) 28.576 0.3105 3.9016 57.335 1.6057 7.3 ( 2 2 1) 28.667 0.3114 3.9130 57.755 1.5950 4.7 ( 1 3 0) 28.878 0.3135 3.9393 58.170 1.5846 7.3 ( 0 3 2) 29.085 0.3155 3.9651 59.651 1.5488 1.6 ( 1 3 1) 29.826 0.3228 4.0569 59.877 1.5435 5.7 (-2 2 3) 29.939 0.3239 4.0708 60.255 1.5347 5.2 ( 2 1 3) 30.128 0.3258 4.0942 60.590 1.5270 0.8 (-1 3 2) 30.295 0.3274 4.1147 61.321 1.5105 3.0 (-3 0 1) 30.661 0.3310 4.1596 62.253 1.4901 1.0 (-2 0 5) 31.127 0.3355 4.2165 62.253 1.4901 1.0 (-3 0 2) 31.127 0.3355 4.2165 63.368 1.4666 2.5 ( 1 2 4) 31.684 0.3409 4.2843 63.585 1.4621 1.4 ( 0 3 3) 31.792 0.3420 4.2974 63.642 1.4609 0.7 ( 1 3 2) 31.821 0.3423 4.3008 64.233 1.4489 0.4 (-3 1 1) 32.116 0.3451 4.3365 64.946 1.4347 1.1 ( 1 1 5) 32.473 0.3485 4.3794 65.141 1.4309 6.7 (-2 1 5) 32.570 0.3494 4.3911 65.141 1.4309 6.7 (-1 3 3) 32.570 0.3494 4.3911 65.382 1.4262 3.8 (-3 0 3) 32.691 0.3506 4.4056 65.382 1.4262 3.8 (-1 0 6) 32.691 0.3506 4.4056 65.803 1.4181 0.7 (-2 2 4) 32.902 0.3526 4.4308 65.803 1.4181 0.7 ( 3 0 1) 32.902 0.3526 4.4308 66.069 1.4130 8.9 (-1 2 5) 33.034 0.3539 4.4466 66.069 1.4130 8.9 ( 0 0 6) 33.034 0.3539 4.4466 66.282 1.4090 6.7 ( 2 0 4) 33.141 0.3549 4.4594 68.080 1.3761 4.1 (-3 1 3) 34.040 0.3634 4.5660 68.199 1.3740 2.3 (-1 1 6) 34.099 0.3639 4.5730 68.648 1.3661 4.4 ( 3 1 1) 34.324 0.3660 4.5994 68.860 1.3624 9.6 ( 0 1 6) 34.430 0.3670 4.6119 68.860 1.3624 9.6 ( 2 2 3) 34.430 0.3670 4.6119 69.080 1.3586 4.4 ( 2 1 4) 34.540 0.3680 4.6248 69.274 1.3553 0.7 ( 2 3 0) 34.637 0.3689 4.6361 69.532 1.3509 0.3 ( 1 3 3) 34.766 0.3701 4.6512 70.230 1.3391 0.1 (-3 0 4) 35.115 0.3734 4.6920 70.430 1.3358 0.4 (-2 3 2) 35.215 0.3743 4.7036 71.546 1.3177 2.0 (-1 3 4) 35.773 0.3794 4.7683 71.708 1.3151 1.1 ( 2 3 1) 35.854 0.3802 4.7777 72.088 1.3091 0.8 (-2 0 6) 36.044 0.3819 4.7995 72.591 1.3013 23.8 (-3 2 1) 36.296 0.3842 4.8285 73.266 1.2910 1.6 ( 1 2 5) 36.633 0.3873 4.8671 73.442 1.2883 1.1 (-3 2 2) 36.721 0.3881 4.8772 73.442 1.2883 1.1 (-2 2 5) 36.721 0.3881 4.8772 73.908 1.2813 11.8 (-2 3 3) 36.954 0.3902 4.9037 73.908 1.2813 11.8 ( 0 4 0) 36.954 0.3902 4.9037 74.789 1.2684 0.2 (-2 1 6) 37.394 0.3942 4.9536 76.066 1.2502 0.7 ( 2 3 2) 38.033 0.3999 5.0256 76.357 1.2462 12.7 (-1 2 6) 38.179 0.4012 5.0419 76.694 1.2416 8.6 ( 1 1 6) 38.347 0.4027 5.0607 76.694 1.2416 8.6 ( 2 0 5) 38.347 0.4027 5.0607 76.996 1.2375 4.6 (-3 0 5) 38.498 0.4041 5.0775 76.996 1.2375 4.6 ( 0 2 6) 38.498 0.4041 5.0775 77.152 1.2353 2.9 ( 2 2 4) 38.576 0.4047 5.0862 77.152 1.2353 2.9 ( 1 3 4) 38.576 0.4047 5.0862 77.449 1.2313 1.5 ( 1 4 0) 38.724 0.4061 5.1027 77.727 1.2276 0.9 ( 0 4 2) 38.863 0.4073 5.1181 77.727 1.2276 0.9 (-1 4 1) 38.863 0.4073 5.1181 78.077 1.2230 1.5 ( 3 0 3) 39.038 0.4088 5.1375 79.104 1.2097 0.2 ( 1 4 1) 39.552 0.4133 5.1941 79.398 1.2059 0.2 ( 2 1 5) 39.699 0.4146 5.2102 79.398 1.2059 0.2 (-2 3 4) 39.699 0.4146 5.2102 79.644 1.2028 0.5 (-3 1 5) 39.822 0.4157 5.2237 79.644 1.2028 0.5 (-1 3 5) 39.822 0.4157 5.2237 79.932 1.1992 1.8 (-1 4 2) 39.966 0.4169 5.2394 80.294 1.1947 1.1 (-1 1 7) 40.147 0.4185 5.2591 80.710 1.1896 0.2 ( 3 1 3) 40.355 0.4203 5.2818 80.935 1.1869 0.3 (-3 2 4) 40.468 0.4213 5.2940 81.600 1.1789 0.1 ( 0 1 7) 40.800 0.4241 5.3299 81.736 1.1773 0.1 ( 3 2 2) 40.868 0.4247 5.3372 82.257 1.1711 1.9 ( 2 3 3) 41.128 0.4269 5.3652 82.660 1.1664 1.9 ( 1 4 2) 41.330 0.4287 5.3868 82.660 1.1664 1.9 (-2 2 6) 41.330 0.4287 5.3868 83.308 1.1590 6.1 (-2 0 7) 41.654 0.4314 5.4213 84.026 1.1509 0.3 (-1 4 3) 42.013 0.4344 5.4594 84.571 1.1449 9.9 ( 1 2 6) 42.285 0.4367 5.4881 85.481 1.1350 0.1 (-3 0 6) 42.741 0.4405 5.5359 85.842 1.1311 0.8 (-3 3 1) 42.921 0.4420 5.5547 85.842 1.1311 0.8 (-4 0 1) 42.921 0.4420 5.5547 85.982 1.1297 2.4 (-4 0 2) 42.991 0.4426 5.5620 85.982 1.1297 2.4 (-2 1 7) 42.991 0.4426 5.5620 86.442 1.1248 0.6 ( 1 3 5) 43.221 0.4445 5.5859 86.619 1.1230 2.1 (-3 3 2) 43.309 0.4452 5.5951 86.619 1.1230 2.1 (-2 3 5) 43.309 0.4452 5.5951 86.876 1.1203 1.2 ( 3 3 0) 43.438 0.4463 5.6084 86.876 1.1203 1.2 ( 3 0 4) 43.438 0.4463 5.6084 87.165 1.1173 1.7 ( 1 0 7) 43.583 0.4475 5.6233 87.165 1.1173 1.7 ( 2 2 5) 43.583 0.4475 5.6233 87.460 1.1143 13.2 (-3 2 5) 43.730 0.4487 5.6385 87.460 1.1143 13.2 (-2 4 1) 43.730 0.4487 5.6385 88.015 1.1087 4.1 (-4 0 3) 44.008 0.4510 5.6670 88.015 1.1087 4.1 (-1 2 7) 44.008 0.4510 5.6670 88.516 1.1038 12.5 ( 3 2 3) 44.258 0.4530 5.6926 88.516 1.1038 12.5 ( 2 0 6) 44.258 0.4530 5.6926 89.249 1.0966 12.8 ( 0 4 4) 44.625 0.4560 5.7299 89.249 1.0966 12.8 (-3 3 3) 44.625 0.4560 5.7299 89.846 1.0908 2.5 ( 3 3 1) 44.923 0.4584 5.7600 89.846 1.0908 2.5 ( 1 1 7) 44.923 0.4584 5.7600 90.136 1.0881 10.7 ( 4 1 0) 45.068 0.4595 5.7746 90.136 1.0881 10.7 ( 2 4 1) 45.068 0.4595 5.7746 91.241 1.0778 3.1 ( 4 0 1) 45.621 0.4639 5.8299 91.241 1.0778 3.1 (-1 0 8) 45.621 0.4639 5.8299 91.938 1.0714 0.6 (-4 0 4) 45.969 0.4667 5.8645 92.307 1.0681 8.5 (-2 4 3) 46.153 0.4681 5.8827 93.229 1.0599 5.2 ( 0 0 8) 46.614 0.4717 5.9280 93.680 1.0560 2.0 (-2 2 7) 46.840 0.4735 5.9500 93.854 1.0545 1.4 (-3 3 4) 46.927 0.4742 5.9585 93.854 1.0545 1.4 (-1 1 8) 46.927 0.4742 5.9585 94.326 1.0505 0.8 ( 2 4 2) 47.163 0.4760 5.9814 94.530 1.0487 1.0 (-4 1 4) 47.265 0.4768 5.9912 95.385 1.0416 0.1 ( 1 4 4) 47.693 0.4800 6.0324 95.684 1.0391 0.2 (-2 3 6) 47.842 0.4812 6.0466 95.684 1.0391 0.2 (-3 0 7) 47.842 0.4812 6.0466 95.850 1.0378 0.2 ( 0 1 8) 47.925 0.4818 6.0546 95.850 1.0378 0.2 (-3 2 6) 47.925 0.4818 6.0546 96.172 1.0351 0.6 (-4 2 1) 48.086 0.4830 6.0699 96.172 1.0351 0.6 (-2 0 8) 48.086 0.4830 6.0699 96.352 1.0337 0.6 (-4 2 2) 48.176 0.4837 6.0785 96.792 1.0302 1.5 ( 4 0 2) 48.396 0.4854 6.0993 97.178 1.0271 0.8 ( 3 2 4) 48.589 0.4868 6.1175 97.569 1.0240 2.6 (-2 4 4) 48.784 0.4883 6.1359 97.569 1.0240 2.6 ( 1 2 7) 48.784 0.4883 6.1359 97.843 1.0219 1.7 (-1 4 5) 48.921 0.4893 6.1487 97.843 1.0219 1.7 ( 4 2 0) 48.921 0.4893 6.1487 98.375 1.0178 2.2 (-3 1 7) 49.188 0.4913 6.1735 98.375 1.0178 2.2 (-4 2 3) 49.188 0.4913 6.1735 98.783 1.0147 1.1 (-2 1 8) 49.391 0.4928 6.1925 98.954 1.0134 0.3 ( 2 2 6) 49.477 0.4934 6.2004 99.407 1.0100 0.1 ( 4 1 2) 49.703 0.4951 6.2213 99.978 1.0057 1.5 ( 3 1 5) 49.989 0.4972 6.2475 100.396 1.0027 1.0 (-4 1 5) 50.198 0.4987 6.2666 100.910 0.9989 1.1 ( 1 5 0) 50.455 0.5005 6.2900 101.117 0.9974 0.8 (-1 3 7) 50.558 0.5013 6.2993 101.269 0.9964 2.1 (-1 5 1) 50.634 0.5018 6.3062 101.269 0.9964 2.1 ( 0 5 2) 50.634 0.5018 6.3062 101.675 0.9935 1.8 ( 4 2 1) 50.838 0.5033 6.3245 101.675 0.9935 1.8 (-1 2 8) 50.838 0.5033 6.3245 102.144 0.9902 0.7 ( 1 0 8) 51.072 0.5050 6.3455 102.301 0.9891 0.2 (-4 2 4) 51.151 0.5055 6.3525 102.301 0.9891 0.2 ( 2 0 7) 51.151 0.5055 6.3525 102.565 0.9873 0.4 ( 1 5 1) 51.283 0.5065 6.3643 103.400 0.9815 0.2 (-1 5 2) 51.700 0.5094 6.4013 103.711 0.9795 1.5 ( 0 2 8) 51.855 0.5105 6.4150 104.059 0.9771 2.1 (-3 4 1) 52.029 0.5117 6.4303 104.351 0.9752 0.9 ( 4 0 3) 52.176 0.5127 6.4431 104.806 0.9722 1.3 ( 1 4 5) 52.403 0.5143 6.4628 104.806 0.9722 1.3 ( 1 1 8) 52.403 0.5143 6.4628 104.965 0.9712 1.3 (-2 4 5) 52.483 0.5148 6.4698 104.965 0.9712 1.3 ( 2 1 7) 52.483 0.5148 6.4698 |
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I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2