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[求助]
Bi2S3 XRD標(biāo)準(zhǔn)卡 已有1人參與
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498237277: 金幣+5, ★★★★★最佳答案 2014-09-15 11:21:03
感謝參與，應(yīng)助指數(shù) +1
498237277: 金幣+5, ★★★★★最佳答案 2014-09-15 11:21:03
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不做這個材料，不知道會不會有很多結(jié)構(gòu)，給你看看這個： PDF#89-8965: QM=Calculated(C); d=Calculated; I=Calculated Bismuthinite, syn Bi2 S3 Radiation=CuKa1 Lambda=1.54060 Filter= Calibration= 2T=11.120-89.739 I/Ic(RIR)=3.68 Ref: Calculated from ICSD using POWD-12++ Orthorhombic - (Unknown), Pbnm (62) Z=4 mp= CELL: 11.17 x 11.319 x 3.992 <90.0 x 90.0 x 90.0> P.S=oP20 (?) Density(c)=6.765 Density(m)=6.59A Mwt=514.14 Vol=504.72 F(30)=222.6(.0035,39/0) Ref: Lukaszewicz, K., Stepien-Damm, J., Pietraszko, A., Kajokas, A., Grigas, J. Pol. J. Chem., v73 p541 (1999) Strong Lines: 3.12/X 3.57/9 3.54/7 2.82/6 3.98/4 1.96/4 2.52/3 1.95/3 2.26/3 2.72/3 FIZ=089325: REM TEM 187 C. ITF Crystal structure, thermal expansion, dielectric permittivity and phase transitions of Bi2 S3 c5 (PBNM) A2X3 2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2 11.120 7.9505 2.6 ( 1 1 0) 5.560 0.0629 0.7903 15.645 5.6595 24.8 ( 0 2 0) 7.822 0.0883 1.1102 15.855 5.5850 8.6 ( 2 0 0) 7.927 0.0895 1.1250 17.553 5.0485 24.4 ( 1 2 0) 8.776 0.0990 1.2446 17.694 5.0085 9.1 ( 2 1 0) 8.847 0.0998 1.2545 22.346 3.9753 44.3 ( 2 2 0) 11.173 0.1258 1.5806 23.648 3.7591 23.4 ( 1 0 1) 11.824 0.1330 1.6714 24.888 3.5746 91.8 ( 1 3 0) 12.444 0.1399 1.7577 24.938 3.5675 93.1 ( 1 1 1) 12.469 0.1402 1.7612 25.158 3.5369 67.7 ( 3 1 0) 12.579 0.1414 1.7765 27.316 3.2621 18.2 ( 0 2 1) 13.658 0.1533 1.9261 28.570 3.1217 100.0 ( 2 3 0) 14.285 0.1602 2.0127 28.570 3.1217 100.0 ( 2 1 1) 14.285 0.1602 2.0127 31.740 2.8168 60.5 ( 2 2 1) 15.870 0.1775 2.2306 32.866 2.7228 26.5 ( 3 0 1) 16.433 0.1836 2.3076 33.011 2.7112 16.8 ( 4 1 0) 16.506 0.1844 2.3175 33.832 2.6473 19.7 ( 3 1 1) 16.916 0.1889 2.3734 33.832 2.6473 19.7 ( 3 3 0) 16.916 0.1889 2.3734 35.535 2.5242 29.6 ( 2 4 0) 17.767 0.1981 2.4891 35.828 2.5043 10.0 ( 4 2 0) 17.914 0.1997 2.5090 36.473 2.4614 11.5 ( 2 3 1) 18.237 0.2031 2.5527 36.593 2.4536 6.9 ( 3 2 1) 18.297 0.2038 2.5608 38.982 2.3086 17.1 ( 0 4 1) 19.491 0.2166 2.7217 39.840 2.2608 27.0 ( 1 4 1) 19.920 0.2212 2.7792 39.985 2.2529 17.0 ( 3 4 0) 19.993 0.2219 2.7889 40.173 2.2429 11.2 ( 4 1 1) 20.086 0.2229 2.8014 40.173 2.2429 11.2 ( 4 3 0) 20.086 0.2229 2.8014 40.630 2.2187 0.3 ( 1 5 0) 20.315 0.2254 2.8319 40.836 2.2079 1.7 ( 3 3 1) 20.418 0.2265 2.8457 41.152 2.1917 2.4 ( 5 1 0) 20.576 0.2281 2.8668 42.328 2.1335 5.8 ( 2 4 1) 21.164 0.2344 2.9450 42.582 2.1214 10.6 ( 4 2 1) 21.291 0.2357 2.9618 43.080 2.0980 6.2 ( 2 5 0) 21.540 0.2383 2.9948 43.516 2.0780 6.6 ( 5 2 0) 21.758 0.2406 3.0237 45.401 1.9960 22.8 ( 0 0 2) 22.700 0.2505 3.1479 46.370 1.9565 38.1 ( 4 3 1) 23.185 0.2556 3.2114 46.547 1.9495 27.4 ( 5 0 1) 23.273 0.2565 3.2230 46.806 1.9393 9.0 ( 1 5 1) 23.403 0.2578 3.2399 46.933 1.9343 11.5 ( 3 5 0) 23.467 0.2585 3.2482 46.933 1.9343 11.5 ( 1 1 2) 23.467 0.2585 3.2482 47.245 1.9223 12.4 ( 5 1 1) 23.622 0.2601 3.2686 47.245 1.9223 12.4 ( 5 3 0) 23.622 0.2601 3.2686 48.198 1.8865 8.5 ( 0 6 0) 24.099 0.2650 3.3306 48.310 1.8824 6.4 ( 0 2 2) 24.155 0.2656 3.3379 48.310 1.8824 6.4 ( 2 0 2) 24.155 0.2656 3.3379 48.882 1.8617 5.6 ( 1 6 0) 24.441 0.2686 3.3750 48.882 1.8617 5.6 ( 6 0 0) 24.441 0.2686 3.3750 49.009 1.8571 11.8 ( 1 2 2) 24.504 0.2692 3.3832 49.009 1.8571 11.8 ( 2 5 1) 24.504 0.2692 3.3832 49.404 1.8432 0.8 ( 5 2 1) 24.702 0.2713 3.4088 49.583 1.8370 4.2 ( 6 1 0) 24.791 0.2722 3.4204 51.167 1.7838 7.1 ( 2 2 2) 25.584 0.2803 3.5224 51.306 1.7793 4.1 ( 4 4 1) 25.653 0.2810 3.5313 51.643 1.7685 2.8 ( 6 2 0) 25.821 0.2827 3.5529 51.956 1.7585 0.6 ( 4 5 0) 25.978 0.2843 3.5730 52.118 1.7534 3.3 ( 5 4 0) 26.059 0.2852 3.5834 52.463 1.7427 16.8 ( 1 3 2) 26.231 0.2869 3.6054 52.527 1.7407 15.3 ( 3 5 1) 26.264 0.2872 3.6095 52.607 1.7383 22.0 ( 3 1 2) 26.303 0.2876 3.6146 52.814 1.7320 8.7 ( 5 3 1) 26.407 0.2887 3.6278 53.694 1.7056 6.6 ( 0 6 1) 26.847 0.2931 3.6838 54.367 1.6861 2.4 ( 1 6 1) 27.184 0.2965 3.7265 54.497 1.6824 4.2 ( 3 6 0) 27.249 0.2972 3.7347 54.497 1.6824 4.2 ( 2 3 2) 27.249 0.2972 3.7347 54.585 1.6799 3.5 ( 3 2 2) 27.292 0.2976 3.7403 54.979 1.6688 2.0 ( 6 1 1) 27.489 0.2996 3.7651 54.979 1.6688 2.0 ( 6 3 0) 27.489 0.2996 3.7651 56.361 1.6311 0.4 ( 0 4 2) 28.181 0.3065 3.8522 56.361 1.6311 0.4 ( 2 6 1) 28.181 0.3065 3.8522 56.635 1.6238 0.2 ( 4 0 2) 28.317 0.3079 3.8693 56.901 1.6169 0.1 ( 6 2 1) 28.450 0.3092 3.8860 57.268 1.6074 1.5 ( 5 4 1) 28.634 0.3111 3.9090 57.268 1.6074 1.5 ( 4 1 2) 28.634 0.3111 3.9090 57.779 1.5944 0.4 ( 3 3 2) 28.889 0.3136 3.9408 57.949 1.5901 0.6 ( 5 5 0) 28.974 0.3144 3.9514 58.942 1.5657 9.4 ( 2 4 2) 29.471 0.3194 4.0131 59.141 1.5609 7.0 ( 4 2 2) 29.571 0.3203 4.0255 59.141 1.5609 7.0 ( 4 6 0) 29.571 0.3203 4.0255 59.375 1.5553 2.7 ( 6 4 0) 29.688 0.3215 4.0399 59.569 1.5507 3.1 ( 3 6 1) 29.785 0.3224 4.0519 60.014 1.5402 2.0 ( 6 3 1) 30.007 0.3246 4.0794 60.204 1.5358 4.9 ( 7 2 0) 30.102 0.3256 4.0911 62.073 1.4940 1.5 ( 3 4 2) 31.036 0.3347 4.2056 62.186 1.4916 1.2 ( 4 3 2) 31.093 0.3352 4.2125 62.472 1.4854 4.7 ( 1 7 1) 31.236 0.3366 4.2299 62.577 1.4832 5.7 ( 7 0 1) 31.288 0.3371 4.2363 62.577 1.4832 5.7 ( 3 7 0) 31.288 0.3371 4.2363 62.928 1.4757 1.2 ( 5 1 2) 31.464 0.3388 4.2577 63.241 1.4692 0.4 ( 7 1 1) 31.620 0.3403 4.2766 63.241 1.4692 0.4 ( 7 3 0) 31.620 0.3403 4.2766 63.901 1.4556 0.2 ( 4 6 1) 31.951 0.3435 4.3166 64.300 1.4475 3.9 ( 2 7 1) 32.150 0.3454 4.3407 64.371 1.4461 4.0 ( 2 5 2) 32.185 0.3458 4.3449 64.609 1.4413 2.4 ( 5 6 0) 32.305 0.3469 4.3593 64.702 1.4395 3.4 ( 6 5 0) 32.351 0.3473 4.3649 64.702 1.4395 3.4 ( 5 2 2) 32.351 0.3473 4.3649 65.010 1.4334 6.9 ( 7 2 1) 32.505 0.3488 4.3834 65.969 1.4149 0.3 ( 0 8 0) 32.985 0.3534 4.4408 66.311 1.4084 2.0 ( 4 4 2) 33.155 0.3550 4.4612 66.565 1.4037 1.3 ( 1 8 0) 33.282 0.3562 4.4763 66.798 1.3993 2.9 ( 4 7 0) 33.399 0.3573 4.4901 66.964 1.3963 2.4 ( 8 0 0) 33.482 0.3581 4.5000 67.357 1.3891 3.6 ( 3 5 2) 33.678 0.3600 4.5233 67.357 1.3891 3.6 ( 7 4 0) 33.678 0.3600 4.5233 67.603 1.3846 6.2 ( 8 1 0) 33.802 0.3611 4.5379 67.603 1.3846 6.2 ( 5 3 2) 33.802 0.3611 4.5379 68.364 1.3710 4.3 ( 0 6 2) 34.182 0.3647 4.5828 68.364 1.3710 4.3 ( 2 8 0) 34.182 0.3647 4.5828 68.915 1.3614 2.7 ( 1 6 2) 34.458 0.3673 4.6152 68.915 1.3614 2.7 ( 6 0 2) 34.458 0.3673 4.6152 69.248 1.3557 6.3 ( 5 6 1) 34.624 0.3688 4.6347 69.248 1.3557 6.3 ( 8 2 0) 34.624 0.3688 4.6347 69.483 1.3517 5.0 ( 6 1 2) 34.741 0.3699 4.6485 69.483 1.3517 5.0 ( 6 5 1) 34.741 0.3699 4.6485 70.564 1.3336 0.2 ( 0 8 1) 35.282 0.3749 4.7115 70.691 1.3315 0.5 ( 2 6 2) 35.345 0.3755 4.7189 71.174 1.3237 2.8 ( 6 2 2) 35.587 0.3777 4.7469 71.174 1.3237 2.8 ( 3 8 0) 35.587 0.3777 4.7469 71.318 1.3213 2.4 ( 4 5 2) 35.659 0.3784 4.7552 71.318 1.3213 2.4 ( 1 0 3) 35.659 0.3784 4.7552 71.568 1.3173 2.2 ( 5 4 2) 35.784 0.3796 4.7697 71.862 1.3127 8.3 ( 1 1 3) 35.931 0.3809 4.7866 71.862 1.3127 8.3 ( 7 4 1) 35.931 0.3809 4.7866 72.086 1.3091 7.2 ( 8 3 0) 36.043 0.3819 4.7995 72.086 1.3091 7.2 ( 8 1 1) 36.043 0.3819 4.7995 72.860 1.2971 3.2 ( 2 8 1) 36.430 0.3855 4.8440 72.976 1.2953 1.1 ( 0 2 3) 36.488 0.3860 4.8506 73.590 1.2860 3.7 ( 2 1 3) 36.795 0.3888 4.8856 73.590 1.2860 3.7 ( 3 6 2) 36.795 0.3888 4.8856 73.753 1.2836 2.0 ( 8 2 1) 36.876 0.3895 4.8949 75.242 1.2618 2.4 ( 4 8 0) 37.621 0.3962 4.9793 75.242 1.2618 2.4 ( 2 2 3) 37.621 0.3962 4.9793 75.540 1.2576 1.5 ( 6 6 1) 37.770 0.3976 4.9961 75.864 1.2530 1.3 ( 8 4 0) 37.932 0.3990 5.0143 75.864 1.2530 1.3 ( 3 0 3) 37.932 0.3990 5.0143 76.098 1.2498 2.3 ( 1 7 2) 38.049 0.4001 5.0275 76.098 1.2498 2.3 ( 1 9 0) 38.049 0.4001 5.0275 76.293 1.2471 1.2 ( 1 3 3) 38.147 0.4009 5.0384 76.472 1.2446 1.9 ( 5 5 2) 38.236 0.4017 5.0484 76.472 1.2446 1.9 ( 5 7 1) 38.236 0.4017 5.0484 77.270 1.2337 0.8 ( 9 1 0) 38.635 0.4053 5.0929 77.495 1.2307 0.7 ( 4 6 2) 38.747 0.4063 5.1054 77.787 1.2268 1.8 ( 6 4 2) 38.893 0.4076 5.1216 77.787 1.2268 1.8 ( 2 7 2) 38.893 0.4076 5.1216 77.970 1.2244 1.4 ( 3 2 3) 38.985 0.4084 5.1317 77.970 1.2244 1.4 ( 2 3 3) 38.985 0.4084 5.1317 78.243 1.2208 0.7 ( 6 7 0) 39.122 0.4096 5.1468 78.518 1.2172 2.9 ( 7 2 2) 39.259 0.4108 5.1620 78.518 1.2172 2.9 ( 7 6 0) 39.259 0.4108 5.1620 78.897 1.2123 0.4 ( 9 2 0) 39.449 0.4124 5.1829 79.597 1.2034 2.0 ( 4 8 1) 39.798 0.4155 5.2212 79.597 1.2034 2.0 ( 0 4 3) 39.798 0.4155 5.2212 80.089 1.1972 1.9 ( 1 4 3) 40.044 0.4176 5.2481 80.306 1.1946 1.7 ( 4 1 3) 40.153 0.4186 5.2599 80.306 1.1946 1.7 ( 8 4 1) 40.153 0.4186 5.2599 80.456 1.1927 1.0 ( 1 9 1) 40.228 0.4192 5.2681 80.637 1.1905 3.6 ( 3 9 0) 40.318 0.4200 5.2779 80.637 1.1905 3.6 ( 3 7 2) 40.318 0.4200 5.2779 80.808 1.1884 2.2 ( 8 5 0) 40.404 0.4207 5.2871 81.075 1.1852 2.5 ( 9 0 1) 40.537 0.4219 5.3016 81.590 1.1790 1.2 ( 9 1 1) 40.795 0.4241 5.3294 81.590 1.1790 1.2 ( 9 3 0) 40.795 0.4241 5.3294 81.745 1.1771 0.7 ( 2 4 3) 40.872 0.4248 5.3378 81.917 1.1751 1.0 ( 4 2 3) 40.959 0.4255 5.3470 82.111 1.1728 0.5 ( 2 9 1) 41.055 0.4263 5.3574 82.570 1.1674 1.9 ( 6 5 2) 41.285 0.4283 5.3821 82.570 1.1674 1.9 ( 6 7 1) 41.285 0.4283 5.3821 83.721 1.1543 0.2 ( 0 8 2) 41.861 0.4332 5.4433 84.269 1.1482 0.7 ( 1 8 2) 42.135 0.4355 5.4723 84.590 1.1446 4.7 ( 8 0 2) 42.295 0.4368 5.4892 84.590 1.1446 4.7 ( 4 3 3) 42.295 0.4368 5.4892 84.718 1.1432 3.5 ( 5 0 3) 42.359 0.4374 5.4960 84.908 1.1412 3.1 ( 7 4 2) 42.454 0.4382 5.5060 84.908 1.1412 3.1 ( 1 5 3) 42.454 0.4382 5.5060 85.108 1.1390 1.8 ( 8 5 1) 42.554 0.4390 5.5165 85.108 1.1390 1.8 ( 8 1 2) 42.554 0.4390 5.5165 85.329 1.1366 1.0 ( 7 7 0) 42.665 0.4399 5.5281 85.329 1.1366 1.0 ( 9 4 0) 42.665 0.4399 5.5281 85.910 1.1304 0.3 ( 2 8 2) 42.955 0.4423 5.5584 85.910 1.1304 0.3 ( 9 3 1) 42.955 0.4423 5.5584 86.315 1.1261 0.5 ( 6 8 0) 43.158 0.4440 5.5795 86.315 1.1261 0.5 ( 1 10 0) 43.158 0.4440 5.5795 86.548 1.1237 1.0 ( 2 5 3) 43.274 0.4450 5.5915 86.682 1.1223 0.6 ( 8 6 0) 43.341 0.4455 5.5985 86.767 1.1214 0.6 ( 5 2 3) 43.384 0.4459 5.6029 86.767 1.1214 0.6 ( 8 2 2) 43.384 0.4459 5.6029 87.196 1.1170 0.1 ( 10 0 0) 43.598 0.4476 5.6251 87.728 1.1116 0.3 ( 10 1 0) 43.864 0.4498 5.6524 87.951 1.1093 0.7 ( 2 10 0) 43.976 0.4507 5.6638 88.312 1.1057 0.4 ( 4 4 3) 44.156 0.4522 5.6823 88.492 1.1040 1.2 ( 6 6 2) 44.246 0.4529 5.6915 88.675 1.1022 1.8 ( 4 9 1) 44.337 0.4537 5.7008 88.675 1.1022 1.8 ( 3 8 2) 44.337 0.4537 5.7008 89.274 1.0963 1.1 ( 3 5 3) 44.637 0.4561 5.7312 89.274 1.0963 1.1 ( 5 9 0) 44.637 0.4561 5.7312 89.502 1.0941 0.7 ( 9 4 1) 44.751 0.4570 5.7427 89.502 1.0941 0.7 ( 5 3 3) 44.751 0.4570 5.7427 89.739 1.0918 0.3 ( 7 5 2) 44.869 0.4579 5.7547 |
2樓2014-09-13 16:48:08
3樓2014-09-15 11:22:35
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