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gyliu
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PDF#89-2434: QM=Calculated(C); d=Calculated; I=Calculated Titanium Silicon Ti5 Si4 Radiation=CuKa1 Lambda=1.54060 Filter= Calibration= 2T=15.059-89.750 I/Ic(RIR)=1.70 Ref: Calculated from ICSD using POWD-12++ Tetragonal - (Unknown), P41212 (92) Z=4 mp= CELL: 6.713 x 6.713 x 12.171 <90.0 x 90.0 x 90.0> P.S=tP36 (Si4 Zr5) Density(c)=4.260 Density(m)=4.28A Mwt=351.84 Vol=548.48 F(30)=999.9(.0000,31/0) Ref: Sprenger, H., Nickl, J. Naturwissenschaften, v54 p645 (1967) Strong Lines: 2.33/X 2.41/8 2.17/7 2.10/7 2.56/3 1.62/2 1.47/1 2.69/1 1.40/1 2.05/1 FIZ=043080: M Coordinates as for Zr5 Si4, cp. 20357. M PDF 27-907. No R value given. At least one TF missing. Neues Titansilicid: Ti5 Si4 b4 a (P41212) N4O5 2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2 15.059 5.8782 5.4 ( 1 0 1) 7.530 0.0851 1.0689 18.678 4.7468 0.6 ( 1 1 0) 9.339 0.1053 1.3237 19.674 4.5087 1.1 ( 1 0 2) 9.837 0.1109 1.3936 20.062 4.4224 0.8 ( 1 1 1) 10.031 0.1131 1.4208 23.753 3.7428 0.1 ( 1 1 2) 11.876 0.1336 1.6787 25.635 3.4722 0.5 ( 1 0 3) 12.817 0.1440 1.8096 26.534 3.3565 0.4 ( 2 0 0) 13.267 0.1490 1.8719 27.544 3.2357 1.1 ( 2 0 1) 13.772 0.1545 1.9418 28.927 3.0840 3.1 ( 1 1 3) 14.463 0.1621 2.0373 29.328 3.0427 0.1 ( 0 0 4) 14.664 0.1643 2.0650 29.734 3.0021 0.3 ( 2 1 0) 14.867 0.1665 2.0929 30.387 2.9391 9.6 ( 2 0 2) 15.194 0.1701 2.1378 30.647 2.9148 7.3 ( 2 1 1) 15.323 0.1715 2.1556 32.275 2.7714 5.2 ( 1 0 4) 16.137 0.1804 2.2672 33.249 2.6923 13.8 ( 2 1 2) 16.625 0.1857 2.3337 34.657 2.5861 10.8 ( 2 0 3) 17.328 0.1933 2.4296 34.999 2.5617 31.4 ( 1 1 4) 17.499 0.1952 2.4528 37.227 2.4133 80.1 ( 2 1 3) 18.614 0.2072 2.6036 37.876 2.3734 7.6 ( 2 2 0) 18.938 0.2107 2.6473 38.618 2.3295 100.0 ( 2 2 1) 19.309 0.2146 2.6972 39.340 2.2884 4.8 ( 1 0 5) 19.670 0.2185 2.7457 39.960 2.2543 3.1 ( 2 0 4) 19.980 0.2218 2.7872 40.774 2.2112 1.7 ( 2 2 2) 20.387 0.2261 2.8415 40.975 2.2008 1.1 ( 3 0 1) 20.488 0.2272 2.8550 41.663 2.1660 74.2 ( 1 1 5) 20.832 0.2308 2.9008 42.255 2.1370 10.7 ( 2 1 4) 21.127 0.2340 2.9401 42.551 2.1228 2.0 ( 3 1 0) 21.276 0.2355 2.9598 43.033 2.1002 70.9 ( 3 0 2) 21.516 0.2381 2.9917 44.173 2.0486 12.4 ( 2 2 3) 22.086 0.2441 3.0671 45.200 2.0044 10.9 ( 3 1 2) 22.600 0.2495 3.1347 46.021 1.9705 2.4 ( 2 0 5) 23.010 0.2537 3.1885 46.298 1.9594 2.0 ( 3 0 3) 23.149 0.2552 3.2067 46.743 1.9418 0.1 ( 1 0 6) 23.371 0.2575 3.2358 48.082 1.8908 1.9 ( 2 1 5) 24.041 0.2644 3.3231 48.350 1.8809 6.9 ( 3 1 3) 24.175 0.2658 3.3405 48.611 1.8714 1.2 ( 2 2 4) 24.306 0.2672 3.3574 48.780 1.8653 10.8 ( 1 1 6) 24.390 0.2681 3.3684 48.877 1.8619 6.1 ( 3 2 0) 24.439 0.2686 3.3747 49.484 1.8404 1.1 ( 3 2 1) 24.742 0.2717 3.4140 50.592 1.8027 0.1 ( 3 0 4) 25.296 0.2774 3.4855 51.271 1.7804 1.6 ( 3 2 2) 25.636 0.2808 3.5291 52.519 1.7410 6.7 ( 3 1 4) 26.259 0.2872 3.6090 52.679 1.7361 4.9 ( 2 0 6) 26.340 0.2880 3.6192 53.909 1.6993 2.0 ( 2 2 5) 26.954 0.2942 3.6974 54.156 1.6922 0.9 ( 3 2 3) 27.078 0.2955 3.7131 54.469 1.6832 0.5 ( 1 0 7) 27.235 0.2971 3.7329 54.553 1.6808 0.5 ( 2 1 6) 27.276 0.2975 3.7382 55.203 1.6625 0.7 ( 4 0 1) 27.602 0.3007 3.7793 56.302 1.6326 1.3 ( 1 1 7) 28.151 0.3063 3.8485 56.472 1.6281 1.3 ( 4 1 0) 28.236 0.3071 3.8591 56.863 1.6179 17.8 ( 4 0 2) 28.432 0.3091 3.8836 57.021 1.6138 10.0 ( 4 1 1) 28.510 0.3098 3.8935 57.561 1.5999 2.0 ( 3 1 5) 28.780 0.3125 3.9272 58.028 1.5881 0.3 ( 3 2 4) 29.014 0.3148 3.9563 58.264 1.5823 4.4 ( 3 3 0) 29.132 0.3160 3.9710 58.648 1.5728 2.8 ( 4 1 2) 29.324 0.3179 3.9949 58.801 1.5691 1.6 ( 3 3 1) 29.401 0.3187 4.0044 59.564 1.5508 1.8 ( 4 0 3) 29.782 0.3224 4.0516 59.937 1.5420 1.4 ( 2 2 6) 29.968 0.3242 4.0746 59.937 1.5420 1.4 ( 2 0 7) 29.968 0.3242 4.0746 60.398 1.5314 0.8 ( 3 3 2) 30.199 0.3265 4.1030 60.836 1.5214 0.2 ( 0 0 8) 30.418 0.3286 4.1299 61.299 1.5110 7.6 ( 4 1 3) 30.649 0.3309 4.1583 61.588 1.5046 7.4 ( 2 1 7) 30.794 0.3323 4.1760 61.588 1.5046 7.4 ( 3 0 6) 30.794 0.3323 4.1760 61.748 1.5011 6.5 ( 4 2 0) 30.874 0.3331 4.1858 62.268 1.4898 6.5 ( 4 2 1) 31.134 0.3356 4.2175 62.550 1.4837 2.6 ( 1 0 8) 31.275 0.3370 4.2347 62.780 1.4789 1.3 ( 3 2 5) 31.390 0.3381 4.2487 63.005 1.4741 0.8 ( 3 3 3) 31.502 0.3392 4.2623 63.366 1.4666 14.2 ( 3 1 6) 31.683 0.3409 4.2842 63.813 1.4574 1.3 ( 4 2 2) 31.906 0.3431 4.3113 64.237 1.4488 3.3 ( 1 1 8) 32.119 0.3451 4.3369 64.902 1.4355 2.2 ( 4 1 4) 32.451 0.3483 4.3768 66.344 1.4078 1.9 ( 4 2 3) 33.172 0.3552 4.4631 66.557 1.4038 12.5 ( 2 2 7) 33.278 0.3562 4.4758 66.557 1.4038 12.5 ( 3 3 4) 33.278 0.3562 4.4758 67.544 1.3857 0.3 ( 2 0 8) 33.772 0.3608 4.5344 67.765 1.3817 0.3 ( 4 0 5) 33.882 0.3619 4.5475 68.328 1.3717 0.2 ( 3 2 6) 34.164 0.3645 4.5807 68.328 1.3717 0.2 ( 3 0 7) 34.164 0.3645 4.5807 69.167 1.3571 2.3 ( 2 1 8) 34.583 0.3684 4.6300 69.386 1.3533 1.2 ( 4 1 5) 34.693 0.3695 4.6428 69.870 1.3451 8.0 ( 3 1 7) 34.935 0.3717 4.6711 69.870 1.3451 8.0 ( 4 2 4) 34.935 0.3717 4.6711 70.020 1.3426 4.2 ( 4 3 0) 35.010 0.3724 4.6799 70.508 1.3345 0.8 ( 5 0 1) 35.254 0.3747 4.7083 71.047 1.3257 2.4 ( 1 0 9) 35.523 0.3772 4.7395 71.047 1.3257 2.4 ( 3 3 5) 35.523 0.3772 4.7395 71.618 1.3165 0.1 ( 5 1 0) 35.809 0.3798 4.7725 71.962 1.3111 1.5 ( 5 0 2) 35.981 0.3814 4.7924 72.101 1.3089 1.2 ( 5 1 1) 36.051 0.3820 4.8004 72.635 1.3006 0.1 ( 1 1 9) 36.317 0.3844 4.8311 73.125 1.2931 0.1 ( 4 0 6) 36.562 0.3867 4.8591 73.542 1.2868 0.9 ( 5 1 2) 36.771 0.3886 4.8830 73.940 1.2808 0.3 ( 2 2 8) 36.970 0.3904 4.9056 74.153 1.2777 1.1 ( 4 2 5) 37.076 0.3913 4.9177 74.360 1.2746 0.8 ( 5 0 3) 37.180 0.3923 4.9295 74.624 1.2708 0.7 ( 3 2 7) 37.312 0.3935 4.9444 74.624 1.2708 0.7 ( 4 1 6) 37.312 0.3935 4.9444 75.771 1.2543 2.3 ( 2 0 9) 37.886 0.3986 5.0091 75.922 1.2522 3.6 ( 5 1 3) 37.961 0.3993 5.0176 76.800 1.2401 3.3 ( 5 2 1) 38.400 0.4032 5.0667 77.057 1.2366 2.3 ( 3 1 8) 38.528 0.4043 5.0810 77.323 1.2330 0.6 ( 2 1 9) 38.661 0.4055 5.0958 77.672 1.2283 3.8 ( 5 0 4) 38.836 0.4071 5.1152 78.211 1.2212 0.2 ( 5 2 2) 39.106 0.4094 5.1450 79.341 1.2066 2.1 ( 4 0 7) 39.671 0.4144 5.2072 79.341 1.2066 2.1 ( 4 2 6) 39.671 0.4144 5.2072 80.061 1.1976 0.6 ( 1 0 10) 40.031 0.4175 5.2466 80.546 1.1916 7.6 ( 5 2 3) 40.273 0.4196 5.2729 80.804 1.1884 7.5 ( 4 1 7) 40.402 0.4207 5.2869 80.947 1.1867 3.4 ( 4 4 0) 40.473 0.4213 5.2947 81.411 1.1811 1.0 ( 4 4 1) 40.706 0.4233 5.3198 81.663 1.1781 2.2 ( 3 2 8) 40.832 0.4244 5.3334 81.663 1.1781 2.2 ( 1 1 10) 40.832 0.4244 5.3334 81.871 1.1756 2.2 ( 4 3 5) 40.935 0.4253 5.3445 81.871 1.1756 2.2 ( 2 2 9) 40.935 0.4253 5.3445 82.329 1.1702 0.3 ( 3 3 7) 41.165 0.4273 5.3691 82.801 1.1648 0.1 ( 4 4 2) 41.401 0.4293 5.3944 83.392 1.1580 5.1 ( 3 0 9) 41.696 0.4318 5.4258 83.392 1.1580 5.1 ( 5 1 5) 41.696 0.4318 5.4258 83.790 1.1535 0.8 ( 5 2 4) 41.895 0.4335 5.4470 83.991 1.1513 1.1 ( 5 3 0) 41.995 0.4343 5.4576 84.452 1.1461 2.2 ( 5 3 1) 42.226 0.4362 5.4820 84.630 1.1442 4.2 ( 2 0 10) 42.315 0.4370 5.4913 84.963 1.1406 2.2 ( 3 1 9) 42.482 0.4384 5.5089 85.109 1.1390 0.7 ( 4 4 3) 42.554 0.4390 5.5165 85.365 1.1362 1.8 ( 4 2 7) 42.682 0.4401 5.5299 85.834 1.1312 1.0 ( 5 3 2) 42.917 0.4420 5.5544 86.144 1.1279 1.4 ( 4 0 8) 43.072 0.4433 5.5705 86.144 1.1279 1.4 ( 2 1 10) 43.072 0.4433 5.5705 87.018 1.1188 3.7 ( 6 0 0) 43.509 0.4469 5.6159 87.018 1.1188 3.7 ( 5 0 6) 43.509 0.4469 5.6159 87.477 1.1141 0.9 ( 6 0 1) 43.738 0.4488 5.6395 87.728 1.1116 3.4 ( 4 1 8) 43.864 0.4498 5.6524 87.932 1.1095 2.0 ( 5 2 5) 43.966 0.4506 5.6629 88.132 1.1075 1.0 ( 5 3 3) 44.066 0.4515 5.6731 88.455 1.1043 2.0 ( 6 1 0) 44.227 0.4528 5.6896 88.455 1.1043 2.0 ( 5 1 6) 44.227 0.4528 5.6896 88.987 1.0991 0.9 ( 6 1 1) 44.493 0.4549 5.7167 89.237 1.0967 2.1 ( 3 3 8) 44.618 0.4559 5.7293 89.495 1.0942 2.3 ( 3 2 9) 44.748 0.4570 5.7424 89.750 1.0917 0.8 ( 1 0 11) 44.875 0.4580 5.7553 |
6楼2017-04-12 08:34:02
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【答案】应助回帖
感谢参与，应助指数 +1
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是TiSi2吧 我不知道怎么把单独的PDF卡弄出来，反正我这个里面有。你看看行不行 http://muchong.com/bbs/viewthread.php?tid=11190914 |
2楼2017-04-11 17:33:17
gyliu
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PDF#89-5588: QM=Calculated(C); d=Calculated; I=Calculated Titanium Silicon Ti Si2 Radiation=CuKa1 Lambda=1.54060 Filter= Calibration= 2T=19.541-88.183 I/Ic(RIR)=4.43 Ref: Calculated from ICSD using POWD-12++ Orthorhombic - Profile Analysis, Fmmm (69) Z=4 mp= CELL: 4.428 x 4.779 x 9.078 <90.0 x 90.0 x 90.0> P.S=oF12 (?) Density(c)=3.598 Density(m)=3.72A Mwt=104.07 Vol=192.10 F(24)=444.2(.0019,29/0) Ref: Smith, P.L., Ortega, R., Brennan, B. Mater. Res. Soc. Symp. Proc., v481 p605 (1998) Strong Lines: 2.21/X 2.39/3 1.62/1 1.28/1 3.06/1 1.34/1 1.11/1 1.51/1 1.25/1 2.27/1 FIZ=086810: Rietveld profile refinement applied No R value given. At least one TF missing. Pseudo-C11b phase formation of titanium disilicide during the C49 to C54 transition i a (FMMM) NO2 2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2 19.541 4.5390 2.1 ( 0 0 2) 9.771 0.1102 1.3843 29.177 3.0582 10.7 ( 1 1 1) 14.588 0.1635 2.0545 37.611 2.3895 26.5 ( 0 2 0) 18.806 0.2092 2.6295 39.681 2.2695 2.5 ( 0 0 4) 19.841 0.2203 2.7685 40.719 2.2141 100.0 ( 2 0 0) 20.359 0.2258 2.8379 40.719 2.2141 100.0 ( 1 1 3) 20.359 0.2258 2.8379 42.729 2.1144 0.5 ( 0 2 2) 21.365 0.2365 2.9716 45.548 1.9899 0.4 ( 2 0 2) 22.774 0.2513 3.1575 55.821 1.6456 1.3 ( 0 2 4) 27.911 0.3038 3.8182 56.627 1.6240 12.3 ( 2 2 0) 28.314 0.3079 3.8689 58.162 1.5848 1.1 ( 2 0 4) 29.081 0.3155 3.9647 58.162 1.5848 1.1 ( 1 1 5) 29.081 0.3155 3.9647 60.496 1.5291 0.2 ( 2 2 2) 30.248 0.3270 4.1090 61.209 1.5130 4.1 ( 0 0 6) 30.604 0.3305 4.1528 62.777 1.4789 0.6 ( 1 3 1) 31.389 0.3381 4.2485 67.111 1.3936 0.5 ( 3 1 1) 33.556 0.3588 4.5088 69.985 1.3432 10.5 ( 1 3 3) 34.993 0.3722 4.6778 71.356 1.3207 0.9 ( 2 2 4) 35.678 0.3786 4.7574 74.113 1.2783 12.2 ( 3 1 3) 37.056 0.3912 4.9154 74.113 1.2783 12.2 ( 0 2 6) 37.056 0.3912 4.9154 76.141 1.2492 3.5 ( 2 0 6) 38.071 0.4003 5.0299 79.517 1.2044 1.1 ( 1 1 7) 39.759 0.4151 5.2169 80.289 1.1947 1.6 ( 0 4 0) 40.145 0.4185 5.2590 83.623 1.1554 0.1 ( 0 4 2) 41.812 0.4328 5.4382 83.623 1.1554 0.1 ( 1 3 5) 41.812 0.4328 5.4382 85.501 1.1348 0.1 ( 0 0 8) 42.751 0.4406 5.5371 87.515 1.1137 0.1 ( 3 1 5) 43.758 0.4489 5.6415 88.183 1.1070 5.2 ( 4 0 0) 44.092 0.4517 5.6757 88.183 1.1070 5.2 ( 2 2 6) 44.092 0.4517 5.6757 |
3楼2017-04-12 08:32:13
gyliu
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PDF#89-3721: QM=Calculated(C); d=Calculated; I=Calculated Titanium Silicon Ti5 Si3 Radiation=CuKa1 Lambda=1.54060 Filter= Calibration= 2T=13.717-89.007 I/Ic(RIR)=2.70 Ref: Calculated from ICSD using POWD-12++ Hexagonal - (Unknown), P63/mcm (193) Z=2 mp= CELL: 7.448 x 7.448 x 5.114 <90.0 x 90.0 x 120.0> P.S=hP16 (?) Density(c)=4.376 Density(m)=4.46A Mwt=323.76 Vol=245.68 F(30)=999.9(.0000,30/0) Ref: Nowotny, H., Auer-Welsbach, H., Bruss, J., Kohl, A. Monatsh. Chem., v90 p15 (1959) Strong Lines: 2.20/X 2.11/7 2.15/4 2.44/4 2.38/3 3.23/2 1.51/2 1.40/2 2.56/1 1.36/1 FIZ=044386: M PDF 29-1362. M Pr5 Si3: 8.126, 5.782. No R value given. At least one TF missing. Ein Beitrag zur Mn5 Si3-Struktur (D88-TyP) g2 d (P63/MCM) N3O5 2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2 13.717 6.4502 2.9 ( 1 0 0) 6.859 0.0775 0.9741 23.875 3.7240 1.4 ( 1 1 0) 11.937 0.1343 1.6872 27.636 3.2251 16.7 ( 2 0 0) 13.818 0.1550 1.9482 29.651 3.0104 4.0 ( 1 1 1) 14.825 0.1661 2.0872 35.065 2.5570 14.1 ( 0 0 2) 17.532 0.1955 2.4572 36.837 2.4379 42.2 ( 2 1 0) 18.419 0.2051 2.5773 37.816 2.3770 27.7 ( 1 0 2) 18.908 0.2103 2.6433 40.977 2.2007 100.0 ( 2 1 1) 20.489 0.2272 2.8551 41.987 2.1500 44.8 ( 3 0 0) 20.993 0.2326 2.9223 42.867 2.1079 74.1 ( 1 1 2) 21.433 0.2372 2.9807 45.218 2.0036 2.7 ( 2 0 2) 22.609 0.2495 3.1359 48.873 1.8620 0.5 ( 2 2 0) 24.436 0.2685 3.3744 51.008 1.7889 2.2 ( 3 1 0) 25.504 0.2795 3.5122 51.768 1.7645 0.2 ( 2 1 2) 25.884 0.2834 3.5609 52.240 1.7496 6.4 ( 2 2 1) 26.120 0.2858 3.5911 54.279 1.6886 3.0 ( 3 1 1) 27.140 0.2961 3.7209 55.819 1.6456 0.1 ( 3 0 2) 27.910 0.3038 3.8181 57.068 1.6125 1.7 ( 4 0 0) 28.534 0.3101 3.8965 59.598 1.5500 0.3 ( 1 1 3) 29.799 0.3226 4.0537 61.560 1.5052 16.1 ( 2 2 2) 30.780 0.3322 4.1743 62.737 1.4798 1.0 ( 3 2 0) 31.369 0.3379 4.2461 63.403 1.4658 2.9 ( 3 1 2) 31.702 0.3411 4.2865 65.625 1.4215 8.2 ( 3 2 1) 32.813 0.3518 4.4202 66.357 1.4075 7.8 ( 4 1 0) 33.179 0.3552 4.4639 66.923 1.3970 15.3 ( 2 1 3) 33.461 0.3579 4.4976 68.768 1.3640 9.3 ( 4 0 2) 34.384 0.3666 4.6066 69.166 1.3571 1.2 ( 4 1 1) 34.583 0.3684 4.6299 73.325 1.2900 2.0 ( 5 0 0) 36.663 0.3876 4.8706 73.944 1.2808 2.1 ( 3 2 2) 36.972 0.3904 4.9058 74.096 1.2785 5.4 ( 0 0 4) 37.048 0.3911 4.9145 75.560 1.2573 1.6 ( 2 2 3) 37.780 0.3977 4.9972 75.789 1.2541 0.8 ( 1 0 4) 37.894 0.3987 5.0101 76.709 1.2413 0.4 ( 3 3 0) 38.355 0.4028 5.0617 77.318 1.2331 1.8 ( 4 1 2) 38.659 0.4055 5.0956 77.318 1.2331 1.8 ( 3 1 3) 38.659 0.4055 5.0956 78.383 1.2190 3.8 ( 4 2 0) 39.192 0.4102 5.1545 79.367 1.2063 3.8 ( 3 3 1) 39.684 0.4145 5.2086 80.797 1.1885 0.6 ( 2 0 4) 40.399 0.4207 5.2866 81.025 1.1858 1.1 ( 4 2 1) 40.513 0.4217 5.2989 83.350 1.1585 1.2 ( 5 1 0) 41.675 0.4316 5.4236 83.948 1.1517 7.8 ( 5 0 2) 41.974 0.4341 5.4553 85.736 1.1322 3.5 ( 2 1 4) 42.868 0.4416 5.5493 85.962 1.1299 4.2 ( 5 1 1) 42.981 0.4425 5.5611 87.151 1.1175 3.6 ( 3 2 3) 43.575 0.4474 5.6227 87.226 1.1167 3.6 ( 3 3 2) 43.613 0.4477 5.6266 89.007 1.0989 5.2 ( 3 0 4) 44.504 0.4550 5.7177 |
4楼2017-04-12 08:32:47