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luojiahui

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[求助] 求助草酸钙和石英XRD卡片具体参数2θ和晶胞参数已有1人参与

如题，请各位虫友积极参与，谢谢！

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1楼2021-02-14 08:29:01

已阅关注TA 给TA发消息送TA红花 TA的回帖

iangie

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强气受

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【答案】应助回帖

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luojiahui: 金币+50, ★★★★★最佳答案 2021-02-18 14:07:27

草酸钙有多种晶型, 常见的有单斜相和四方相
单斜P121/n1的峰位如下
d(Å

2Theta (°) I var h k l Comment
5.92846 14.931 687 1 0 0
5.79391 15.280 215 0 2 1
5.49222 16.125 4 1 1 0
4.76908 18.590 12 0 0 2
4.64169 19.105 12 -1 2 1
4.60047 19.278 2 1 2 0
4.52842 19.588 53 -1 0 2 Line with multiple indexes
4.52842 19.588 53 0 1 2
4.32483 20.520 3 0 3 1 Line with multiple indexes
4.32483 20.520 3 -1 1 2
3.99156 22.254 2 0 2 2
3.77779 23.530 117 1 2 1 Line with multiple indexes
3.77779 23.530 117 -1 3 1
3.64690 24.388 1000 0 4 0
3.40481 26.151 36 0 3 2 Line with multiple indexes
3.40481 26.151 36 0 4 1
3.31390 26.882 35 -1 3 2
3.26921 27.257 3 1 3 1
3.22624 27.627 4 -1 1 3 Line with multiple indexes
3.22624 27.627 4 1 0 2
3.15012 28.308 4 1 1 2
3.10624 28.717 41 1 4 0
3.07372 29.027 4 -2 1 1
3.00565 29.699 148 -2 0 2 Line with multiple indexes
3.00565 29.699 148 -1 2 3
2.96423 30.124 742 2 0 0
2.91453 30.650 156 0 2 3
2.90486 30.755 87 2 1 0
2.89696 30.841 134 0 4 2
2.84034 31.471 205 -1 4 2
2.78992 32.055 2 0 5 1
2.78139 32.156 3 -2 2 2
2.74611 32.581 2 2 2 0
2.66104 33.653 2 0 3 3
2.61291 34.292 11 1 5 0 Line with multiple indexes
2.61291 34.292 11 -2 1 3
2.55855 35.044 2 -2 3 2
2.52367 35.544 59 -1 0 4
2.49557 35.958 516 -2 2 3
2.45258 36.610 22 -1 5 2
2.44519 36.725 70 2 2 1 Line with multiple indexes
2.44519 36.725 70 1 1 3
2.43127 36.943 7 0 6 0
2.41640 37.178 118 1 4 2
2.38454 37.694 64 0 0 4 Line with multiple indexes
2.38454 37.694 64 -2 4 1
2.35593 38.169 578 0 1 4 Line with multiple indexes
2.35593 38.169 578 0 6 1
2.34624 38.333 511 1 2 3
2.32085 38.769 43 -2 4 2
2.30023 39.130 61 2 4 0
2.28965 39.319 11 2 3 1
2.26421 39.779 238 -2 0 4 Line with multiple indexes
2.26421 39.779 238 0 2 4
2.25422 39.963 201 -1 6 1
2.23742 40.276 10 -2 1 4
2.20817 40.833 150 2 0 2 Line with multiple indexes
2.20817 40.833 150 1 3 3
2.18330 41.319 17 -1 5 3 Line with multiple indexes
2.18330 41.319 17 2 1 2
2.16393 41.706 8 0 6 2 Line with multiple indexes
2.16393 41.706 8 1 5 2
2.13869 42.222 12 0 3 4 Line with multiple indexes
2.13869 42.222 12 -2 5 1
2.12985 42.405 81 1 6 1
2.11457 42.727 4 2 4 1
2.08936 43.268 96 -3 0 2
2.07524 43.578 350 -1 4 4
2.05725 43.978 6 -3 1 1
2.03592 44.464 4 0 7 1
2.01057 45.055 17 2 3 2
1.99351 45.462 45 1 0 4 Line with multiple indexes
1.99351 45.462 45 0 4 4
1.98713 45.616 21 -3 1 3
1.97615 45.884 279 3 0 0 Line with multiple indexes
1.97615 45.884 279 1 1 4
1.96602 46.134 27 -2 5 3 Line with multiple indexes
1.96602 46.134 27 1 7 0
1.95713 46.356 134 -1 6 3 Line with multiple indexes
1.95713 46.356 134 3 1 0
1.95028 46.528 241 -1 2 5
1.93402 46.943 205 -3 2 3
1.93130 47.013 171 0 6 3
1.92336 47.219 151 -2 4 4 Line with multiple indexes
1.92336 47.219 151 -2 6 1
1.90959 47.580 24 0 7 2
1.88890 48.134 266 2 4 2 Line with multiple indexes
1.88890 48.134 266 1 5 3
1.85975 48.937 106 -3 0 4 Line with multiple indexes
1.85975 48.937 106 -2 2 5
1.84555 49.339 203 0 2 5 Line with multiple indexes
1.84555 49.339 203 1 3 4
1.83074 49.765 16 3 3 0
1.82345 49.978 150 0 8 0
1.81819 50.132 48 2 2 3
1.81291 50.288 180 -3 4 2
1.79332 50.877 255 -2 6 3 Line with multiple indexes
1.79332 50.877 255 0 8 1
1.77435 51.460 30 0 3 5 Line with multiple indexes
1.77435 51.460 30 2 6 1
1.76407 51.782 12 3 2 1
1.76072 51.888 12 2 5 2
1.74923 52.254 10 1 4 4 Line with multiple indexes
1.74923 52.254 10 -1 6 4
1.74287 52.460 19 1 8 0 Line with multiple indexes
1.74287 52.460 19 0 7 3
1.73543 52.702 242 -2 7 1 Line with multiple indexes
1.73543 52.702 242 1 6 3
1.71314 53.441 3 -2 7 2
1.70320 53.778 46 0 8 2 Line with multiple indexes
1.70320 53.778 46 3 3 1
1.69869 53.933 10 -3 5 2
1.69147 54.182 70 -1 8 2 Line with multiple indexes
1.69147 54.182 70 0 4 5
1.68265 54.489 25 -1 0 6
1.67095 54.903 3 -3 1 5 Line with multiple indexes
1.67095 54.903 3 2 4 3
1.65476 55.486 13 -3 4 4
1.65288 55.554 10 -3 5 3
1.64938 55.683 13 -2 0 6 Line with multiple indexes
1.64938 55.683 13 1 1 5
1.64596 55.808 5 1 5 4
1.63901 56.066 65 -3 2 5 Line with multiple indexes
1.63901 56.066 65 -2 1 6
1.63147 56.348 3 3 1 2
1.61970 56.794 31 1 2 5
1.61312 57.047 3 2 0 4
1.59490 57.760 6 1 7 3
1.58744 58.057 95 1 8 2
1.57965 58.371 80 -3 6 1 Line with multiple indexes
1.57965 58.371 80 2 5 3
1.57216 58.676 19 1 3 5 Line with multiple indexes
1.57216 58.676 19 -4 0 2
1.56915 58.800 6 0 7 4
1.56653 58.908 6 -3 5 4
1.55942 59.203 50 -2 8 2
1.55552 59.366 55 3 3 2 Line with multiple indexes
1.55552 59.366 55 -1 6 5
1.55312 59.467 40 2 8 0
1.54723 59.717 124 -3 6 3 Line with multiple indexes
1.54723 59.717 124 -4 1 3
1.53643 60.180 11 -4 1 1 Line with multiple indexes
1.53643 60.180 11 0 9 2
1.53107 60.412 19 2 3 4
1.52786 60.552 96 -1 4 6 Line with multiple indexes
1.52786 60.552 96 -1 9 2
1.52316 60.759 49 1 9 1 Line with multiple indexes
1.52316 60.759 49 -4 2 3
1.51558 61.095 9 2 7 2
1.51149 61.278 25 -4 2 1 Line with multiple indexes
1.51149 61.278 25 0 3 6
1.50947 61.369 36 -3 0 6 Line with multiple indexes
1.50947 61.369 36 -2 6 5
1.50282 61.670 60 -2 4 6 Line with multiple indexes
1.50282 61.670 60 -2 8 3
1.50080 61.762 33 0 6 5
1.49706 61.934 22 -4 1 4 Line with multiple indexes
1.49706 61.934 22 3 4 2
1.48597 62.448 44 2 6 3
1.48211 62.629 64 -4 3 3 Line with multiple indexes
1.48211 62.629 64 4 0 0
1.47801 62.822 20 -1 8 4
1.47524 62.953 69 2 4 4 Line with multiple indexes
1.47524 62.953 69 4 1 0
1.46467 63.460 9 3 1 3
1.45726 63.821 73 0 4 6 Line with multiple indexes
1.45726 63.821 73 3 6 1
1.44834 64.261 6 1 9 2
1.44301 64.527 54 3 2 3 Line with multiple indexes
1.44301 64.527 54 0 10 1
1.43716 64.822 6 -4 3 4
1.43394 64.985 20 3 7 0
1.42696 65.343 6 -2 9 2
1.42017 65.694 23 1 0 6 Line with multiple indexes
1.42017 65.694 23 -2 8 4
1.40603 66.440 87 -2 2 7 Line with multiple indexes
1.40603 66.440 87 2 8 2
1.39716 66.917 27 2 1 5 Line with multiple indexes
1.39716 66.917 27 -4 2 5
1.39472 67.050 82 2 7 3 Line with multiple indexes
1.39472 67.050 82 -3 4 6
1.39069 67.270 9 -4 4 4 Line with multiple indexes
1.39069 67.270 9 4 1 1
1.38638 67.507 12 1 10 1 Line with multiple indexes
1.38638 67.507 12 -3 7 4
1.38326 67.680 9 -2 9 3 Line with multiple indexes
1.38326 67.680 9 -3 6 5
1.37924 67.904 42 -1 3 7 Line with multiple indexes
1.37924 67.904 42 2 2 5
1.37383 68.208 60 -3 8 2 Line with multiple indexes
1.37383 68.208 60 4 4 0
1.36539 68.688 15 -4 5 1 Line with multiple indexes
1.36539 68.688 15 1 3 6
1.35669 69.191 4 1 9 3 Line with multiple indexes
1.35669 69.191 4 0 1 7
1.35474 69.305 4 -1 8 5
1.34942 69.617 10 2 3 5 Line with multiple indexes
1.34942 69.617 10 -3 8 3

四方I4/m的峰位如下:
d(Å

2Theta (°) I var h k l Comment
8.72499 10.130 231 1 1 0
6.31682 14.009 98 1 0 1
6.16950 14.345 4 2 0 0
4.41366 20.102 999 1 2 1
3.90193 22.772 150 1 3 0
3.67675 24.187 138 0 0 2
3.58965 24.783 106 3 0 1
3.38820 26.282 270 1 1 2
3.15841 28.232 552 2 0 2
3.10268 28.750 336 2 3 1
3.08475 28.921 218 4 0 0
2.90833 30.717 2 3 3 0
2.81141 31.804 229 2 2 2
2.77189 32.269 922 1 4 1
2.75908 32.423 109 4 2 0
2.67592 33.460 76 1 3 2
2.41988 37.123 168 5 1 0
2.40419 37.374 57 1 0 3
2.36319 38.047 51 4 0 2
2.33957 38.446 389 4 3 1
2.28100 39.474 37 3 3 2
2.24011 40.225 565 2 1 3
2.20683 40.859 90 4 2 2
2.18756 41.235 15 2 5 1
2.18125 41.360 13 4 4 0
2.11612 42.694 196 3 5 0
2.10561 42.918 103 3 0 3
2.05650 43.995 7 6 0 0
2.02136 44.801 55 1 5 2
1.99274 45.480 62 3 2 3
1.95548 46.397 359 6 1 1
1.95097 46.511 181 6 2 0
1.89628 47.935 349 4 1 3
1.86408 48.816 31 4 5 1
1.83405 49.669 544 3 5 2
1.79482 50.831 57 6 0 2
1.78441 51.149 65 6 3 1
1.76182 51.853 63 2 0 4
1.74500 52.391 86 5 5 0
1.73909 52.582 61 5 0 3
1.72338 53.099 6 6 2 2
1.71111 53.510 80 6 4 0
1.69410 54.091 118 2 2 4
1.67386 54.799 24 5 2 3
1.66304 55.186 8 1 3 4
1.65159 55.602 33 7 2 1
1.62019 56.776 58 7 3 0
1.57646 58.501 107 5 5 2
1.56277 59.064 159 6 1 3
1.55396 59.432 18 3 3 4
1.55134 59.543 9 6 4 2
1.54460 59.829 3 5 6 1
1.54238 59.924 6 8 0 0
1.52988 60.464 29 4 2 4
1.51492 61.125 21 5 4 3
1.49836 61.874 142 1 8 1
1.49632 61.968 157 2 8 0
1.48262 62.605 102 3 7 2
1.47122 63.145 147 6 3 3
1.46386 63.500 16 5 1 4
1.46036 63.670 7 1 0 5
1.43438 64.963 47 5 7 0
1.42109 65.646 25 8 0 2 Line with multiple indexes
1.42109 65.646 25 1 2 5
1.41710 65.855 44 3 8 1
1.39408 67.084 45 7 2 3
1.38781 67.428 159 5 3 4
1.38595 67.531 83 8 2 2 Line with multiple indexes
1.38595 67.531 83 3 0 5
1.37954 67.887 26 8 4 0
1.37058 68.392 29 6 0 4
1.36261 68.848 13 9 1 0
1.35121 69.512 7 2 3 5 Line with multiple indexes
1.35121 69.512 7 6 6 2
1.34778 69.714 4 9 0 1
1.33629 70.402 70 7 5 2
1.32792 70.912 10 5 6 3
1.31992 71.408 158 1 4 5
1.31672 71.608 128 9 2 1
1.29819 72.792 45 8 1 3
1.29162 73.223 21 4 8 2
1.28772 73.481 4 5 8 1
1.27769 74.154 14 1 9 2
1.26562 74.982 32 5 5 4
1.26336 75.139 81 4 3 5
1.25251 75.905 4 4 6 4
1.24643 76.341 11 7 7 0
1.24427 76.498 25 8 3 3
1.23768 76.979 11 2 5 5
1.23504 77.174 47 10 0 0 Line with multiple indexes
1.23504 77.174 47 9 4 1
1.22558 77.882 40 0 0 6 Line with multiple indexes
1.22558 77.882 40 3 9 2
1.21550 78.652 44 3 7 4
1.20994 79.084 19 10 2 0
1.20209 79.703 8 2 0 6
1.19847 79.992 12 9 5 0
1.19655 80.147 8 9 0 3
1.19069 80.622 34 6 1 5
1.18159 81.373 15 8 0 4
1.17991 81.513 27 7 7 2 Line with multiple indexes
1.17991 81.513 27 2 2 6
1.17466 81.955 61 7 6 3
1.16978 82.371 53 5 4 5 Line with multiple indexes
1.16978 82.371 53 10 0 2
1.16689 82.620 8 3 10 1
1.16050 83.175 12 8 2 4
1.15393 83.756 12 8 5 3
1.14931 84.169 50 2 10 2
1.14656 84.418 8 8 7 1
1.14565 84.500 8 4 10 0
1.13946 85.067 8 4 0 6 Line with multiple indexes
1.13946 85.067 8 5 9 2
1.13088 85.867 32 5 7 4
1.12940 86.007 16 7 0 5 Line with multiple indexes
1.12940 86.007 16 3 3 6
1.12726 86.210 44 9 6 1
1.12005 86.903 8 4 2 6
1.11557 87.339 84 4 9 3
1.10341 88.551 4 4 8 4
1.09776 89.127 5 1 10 3
1.09335 89.583 25 5 1 6 Line with multiple indexes
1.09335 89.583 25 10 4 2
1.09141 89.786 17 2 11 1 Line with multiple indexes
1.09141 89.786 17 8 8 0
1.08220 90.762 17 3 11 0
1.07646 91.383 5 6 5 5

低温石英常见的只有一种六方P3221
d(Å

2Theta (°) I var h k l Comment
4.25499 20.860 13 1 0 0
3.34347 26.640 100 1 0 1 Strongest line.
2.45687 36.544 13 1 1 0
2.28149 39.465 12 1 0 2
2.23613 40.300 6 1 1 1
2.12771 42.450 10 2 0 0
1.97986 45.793 7 2 0 1
1.81796 50.139 24 1 1 2
1.80174 50.622 2 0 0 3 Less than given I
1.67173 54.875 9 2 0 2
1.65919 55.325 5 1 0 3
1.60827 57.235 3 2 1 0 Less than given I
1.54153 59.960 20 2 1 1
1.45289 64.036 5 1 1 3
1.41841 65.786 3 3 0 0 Less than given I
1.38210 67.744 15 2 1 2
1.37496 68.144 18 2 0 3
1.37188 68.318 13 3 0 1
1.28791 73.468 6 1 0 4
1.25595 75.660 8 3 0 2
1.22832 77.675 3 2 2 0
1.19982 79.884 6 2 1 3
1.19779 80.047 3 2 2 1 Less than given I
1.18399 81.173 6 1 1 4
1.18017 81.491 6 3 1 0
1.15298 83.840 3 3 1 1
1.14065 84.958 3 2 0 4 Less than given I
1.11455 87.439 3 3 0 3 Less than given I
1.08155 90.831 7 3 1 2
1.06380 92.788 4 4 0 0 Less than given I
1.04772 94.651 4 1 0 5
1.04380 95.119 4 4 0 1 Less than given I
1.03461 96.238 4 2 1 4
1.01490 98.751 4 2 2 3
0.98958 102.231 4 1 1 5 Less than given I
0.98725 102.567 4 3 1 3 Less than given I
0.97835 103.877 4 3 0 4 Less than given I
0.97617 104.203 4 3 2 0 Less than given I
0.96079 106.593 4 3 2 1 Less than given I
0.92853 112.114 4 4 1 0 Less than given I
0.91816 114.061 4 3 2 2 Less than given I
0.91606 114.467 8 4 0 3
0.91518 114.639 8 4 1 1
0.90889 115.885 4 2 2 4 Less than given I
0.90085 117.537 4 0 0 6 Less than given I
0.89719 118.313 4 2 1 5 Less than given I

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