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csxray
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2楼2010-01-04 20:20:03
两个都发给我看看。 3楼2010-01-04 20:42:21
csxray
铁杆木虫 (正式写手)
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最常见的三种类型： PDF#37-1496: QM=Star(+); d=Diffractometer; I=Diffractometer Anhydrite, syn Ca S O4 (Colorless) Radiation=CuKa1 Lambda=1.5405981 Filter=Graph Calibration=Internal(Si) d-Cutoff=17.7 I/Ic(RIR)= Ref= McMurdie, H., Morris, M., Evans, E., Paretzkin, B., Wong-Ng, W., Hubbard, C. Powder Diffraction, 1 267 (1986) Orthorhombic - Powder Diffraction, Bmmb (63) Z=4 mp= Cell=6.9933x7.0017x6.2411 Pearson=oC24 (Ca O4 S) Density(c)=2.959 Density(m)=2.74A Mwt=136.14 Vol=305.60 F(30)=99.3(.0066,46) Ref= 1. Hohne, E. Monatsber. Deut. Akad. Wiss. Berlin, 4 72 (1962) Strong Line: 3.50/X 2.85/3 2.33/2 2.21/2 1.87/2 1.65/2 1.75/1 2.18/1 2.09/1 2.47/1 NOTE: The sample was prepared by adding an aqueous solution of K2 S O4 to one of Ca Cl2. The resultant precipitate was washed and then heated to 700$DE for 5 hours. References to other early patterns and structures will be found in Swanson et al. (2). See ICSD 16382 (PDF 01-072-0916). The mean temperature of data collection was 25.8$DE. The definitive structure of Ca S O4 was determined by Hohne (1). To replace 00-006-0226, Swanson et al. (2) Bushuev et al. (3). This form is called "insoluble anhydrite" to distinguish it from the tetragonal "soluble anhydrite" form. d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d 3.879 5.0 5.0 1 1 1 22.910 11.455 0.129 1.620 3.499 100.0 100.0 0 2 0 25.436 12.718 0.143 1.796 3.121 2.0 2.0 0 0 2 28.579 14.290 0.160 2.013 2.849 29.0 36.0 0 1 2 31.367 15.684 0.175 2.205 2.797 3.0 4.0 1 2 1 31.970 15.985 0.179 2.246 2.473 7.0 10.0 2 2 0 36.289 18.145 0.202 2.540 2.328 20.0 30.0 2 0 2 38.640 19.320 0.215 2.699 2.209 20.0 32.0 2 1 2 40.815 20.407 0.226 2.844 2.184 8.0 13.0 3 0 1 41.312 20.656 0.229 2.877 2.086 8.0 13.0 1 3 1 43.330 21.665 0.240 3.011 1.994 4.0 7.0 1 0 3 45.448 22.724 0.251 3.151 1.939 3.0 5.0 2 2 2 46.819 23.409 0.258 3.241 1.918 1.0 2.0 1 1 3 47.369 23.684 0.261 3.277 1.869 16.0 30.0 0 3 2 48.674 24.337 0.267 3.362 1.853 3.0 6.0 3 2 1 49.135 24.567 0.270 3.391 1.750 11.0 22.0 0 4 0 52.229 26.115 0.286 3.590 1.748 10.0 20.0 4 0 0 52.289 26.144 0.286 3.594 1.732 1.0 2.0 1 2 3 52.797 26.398 0.289 3.627 1.648 15.0 32.0 2 3 2 55.721 27.860 0.303 3.812 1.594 2.0 4.0 3 3 1 57.777 28.888 0.314 3.941 1.565 4.0 9.0 2 4 0 58.980 29.490 0.320 4.015 1.525 3.0 7.0 4 0 2 60.665 30.333 0.328 4.119 1.516 1.0 2.0 1 3 3 61.083 30.542 0.330 4.145 1.490 5.0 12.0 4 1 2 62.236 31.118 0.335 4.216 1.425 2.0 5.0 0 2 4 65.441 32.721 0.351 4.409 1.419 1.0 2.0 3 2 3 65.765 32.883 0.352 4.429 1.399 3.0 8.0 2 4 2 66.826 33.413 0.357 4.492 1.396 3.0 8.0 2 1 4 66.973 33.487 0.358 4.501 1.366 1.0 3.0 3 4 1 68.658 34.329 0.366 4.600 1.320 4.0 11.0 2 2 4 71.417 35.708 0.379 4.761 1.297 1.0 3.0 0 3 4 72.863 36.432 0.385 4.844 1.277 6.0 16.0 4 3 2 74.195 37.097 0.392 4.920 1.237 1.0 3.0 4 4 0 77.020 38.510 0.404 5.079 1.216 3.0 9.0 2 3 4 78.595 39.297 0.411 5.166 1.200 2.0 6.0 2 5 2 79.865 39.932 0.417 5.236 1.178 1.0 3.0 5 3 1 81.646 40.823 0.424 5.332 1.167 4.0 12.0 0 6 0 82.612 41.306 0.428 5.384 1.165 5.0 15.0 6 0 0 82.748 41.374 0.429 5.392 1.164 5.0 15.0 4 0 4 82.866 41.433 0.430 5.398 1.150 1.0 3.0 4 4 2 84.114 42.057 0.435 5.464 1.148 1.0 3.0 4 1 4 84.241 42.120 0.435 5.471 1.145 1.0 3.0 5 1 3 84.539 42.269 0.437 5.487 1.106 7.0 22.0 6 2 0 88.306 44.153 0.452 5.682 PDF#41-0224: QM=Indexed; d=Diffractometer; I=Film/Visual Bassanite, syn Ca S O4 !0.5 H2 O (White) Radiation=CuKa1 Lambda=1.54051 Filter=Ni Calibration=Internal(Si) d-Cutoff=22.1 I/Ic(RIR)= Ref= Pollmann, H., Kuzel, H.-J., Mineralogical Inst. of University, Erlangen, Germany. ICDD Grant-in-Aid (1989) Monoclinic - (Unknown), I2 (5) Z=12 mp= Cell=12.028x6.932x12.691<90.183> Pearson=mC90 (?) Density(c)=2.748 Density(m)=2.700 Mwt=145.15 Vol=1058.15 F(30)=27.3(.0087,126) Ref= Kuzel, H.-J., Hauner, M. Zem.-Kalk-Gips, 40 628 (1987) Strong Line: 3.01/X 2.80/9 6.01/8 3.47/5 1.84/3 1.85/2 1.69/2 1.67/2 3.04/1 2.72/1 NOTE: Dehydration of gypsum in H N O3 (60%). Rehydration at pressure of water/pressure of oxygen=0.35 at 22 C. Pattern made at 22 C and pressure of water=0.35. Analysis (wt.%): CaO 38.5, S O3 55.0, H2 O 6.5: Ca S O4 !0.53 H2 O To replace 00-033-0310 and 00-036-0617. *Not permitted by space group. d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d 6.013 80.0 40.0 2 0 0 14.720 7.360 0.083 1.045 4.371 5.0 3.0 -2 0 2 20.301 10.150 0.114 1.438 4.279 5.0 4.0 -2 1 1 20.741 10.370 0.117 1.468 3.994 5.0 4.0 -1 0 3 22.241 11.120 0.125 1.573 3.826 5.0 4.0 -3 0 1 23.231 11.615 0.131 1.642 3.611 5.0 4.0 0 1 3 24.631 12.315 0.138 1.740 3.467 50.0 43.0 0 2 0 25.671 12.835 0.144 1.812 3.220 5.0 5.0 -1 2 1 27.681 13.840 0.155 1.951 3.042 10.0 10.0 0 2 2 29.331 14.665 0.164 2.065 3.006 100.0 100.0 4 0 0 29.691 14.845 0.166 2.090 2.803 90.0 97.0 2 0 4 31.901 15.951 0.178 2.242 2.715 10.0 11.0 4 0 2 32.961 16.481 0.184 2.314 2.615 5.0 6.0 1 2 3 34.261 17.131 0.191 2.403 2.569 5.0 6.0 3 2 1 34.891 17.446 0.195 2.445 2.341 5.0 6.0 0 2 4 38.421 19.211 0.214 2.684 2.271 5.0 7.0 4 2 0 39.651 19.826 0.220 2.767 2.227 5.0 7.0 3 2 3 40.471 20.236 0.225 2.821 2.182 5.0 7.0 -2 2 4 41.341 20.671 0.229 2.879 2.137 10.0 14.0 4 2 2 42.251 21.126 0.234 2.940 2.115 10.0 14.0 0 0 6 42.711 21.356 0.236 2.970 2.028 5.0 7.0 0 3 3 44.641 22.321 0.247 3.098 2.002 5.0 8.0 3 3 0 45.262 22.631 0.250 3.139 1.953 5.0 8.0 -5 2 1 46.452 23.226 0.256 3.217 1.908 10.0 16.0 6 0 2 47.612 23.806 0.262 3.292 1.849 20.0 33.0 -4 2 4 49.242 24.621 0.270 3.398 1.845 30.0 49.0 4 2 4 49.362 24.681 0.271 3.406 1.813 5.0 8.0 4 3 1 50.292 25.146 0.276 3.466 1.789 5.0 8.0 5 2 3 51.012 25.506 0.280 3.512 1.751 5.0 9.0 6 1 3 52.192 26.096 0.286 3.588 1.735 10.0 17.0 6 2 0 52.702 26.351 0.288 3.621 1.733 10.0 17.0 0 4 0 52.782 26.391 0.289 3.626 1.700 5.0 9.0 -1 4 1 53.902 26.951 0.294 3.697 1.693 20.0 36.0 6 0 4 54.142 27.071 0.295 3.712 1.665 20.0 36.0 2 4 0 55.102 27.551 0.300 3.773 1.611 5.0 9.0 -2 4 2 57.132 28.566 0.310 3.900 1.578 5.0 10.0 -3 4 1 58.422 29.211 0.317 3.981 1.546 5.0 10.0 4 2 6 59.772 29.886 0.323 4.064 1.533 5.0 10.0 1 1 8 60.332 30.166 0.326 4.099 1.521 5.0 10.0 6 2 4 60.862 30.431 0.329 4.132 1.501 5.0 10.0 4 4 0 61.742 30.871 0.333 4.185 1.478 5.0 10.0 -7 1 4 62.822 31.411 0.338 4.251 1.474 10.0 20.0 2 4 4 63.012 31.506 0.339 4.263 1.455 5.0 10.0 -3 3 6 63.922 31.961 0.344 4.318 1.444 5.0 10.0 -3 1 8 64.462 32.231 0.346 4.350 1.441 5.0 10.0 3 1 8 64.612 32.306 0.347 4.359 1.427 5.0 11.0 -6 3 3 65.342 32.671 0.350 4.403 1.398 5.0 11.0 -5 4 1 66.872 33.436 0.358 4.495 1.361 5.0 11.0 -8 0 4 68.963 34.481 0.367 4.618 1.311 10.0 23.0 6 4 0 71.973 35.986 0.381 4.793 1.299 10.0 23.0 4 2 8 72.733 36.366 0.385 4.837 1.264 10.0 24.0 8 2 4 75.113 37.556 0.396 4.972 1.243 10.0 24.0 3 3 8 76.613 38.307 0.402 5.056 1.214 5.0 12.0 7 4 1 78.763 39.382 0.412 5.175 1.198 5.0 13.0 4 3 8 79.993 39.997 0.417 5.243 1.181 5.0 13.0 10 0 2 81.424 40.712 0.423 5.320 1.169 5.0 13.0 6 2 8 82.433 41.216 0.428 5.375 1.157 5.0 13.0 9 3 0 83.483 41.742 0.432 5.431 PDF#33-0311: QM=Star(+); d=Diffractometer; I=Diffractometer Gypsum, syn Ca S O4 !2 H2 O (Colorless) Radiation=CuKa1 Lambda=1.540598 Filter= Calibration=Internal(Si) d-Cutoff= I/Ic(RIR)=1.83 Ref= Natl. Bur. Stand. (U.S.) Monogr. 25, 17 16 (1980) Monoclinic - (Unknown), C2/c (15) Z=4 mp= Cell=6.2845x15.2079x5.6776<114.09> Pearson=mC48 (?) Density(c)=2.308 Density(m)=2.320 Mwt=172.17 Vol=495.37 F(30)=51.7(.0119,49) Ref= Ibid. Strong Line: 7.63/X 4.28/X 3.07/8 2.87/5 2.69/4 2.09/3 3.80/2 1.90/2 2.22/2 2.07/2 NOTE: Sample prepared by adding H2 S O4 to a Ca ( N O3 )2 solution; the precipitate was filtered out, washed in water and bottled while moist; the crystals were dried immediately before use with care taken to prevent dehydration. Pattern taken at 25 C. To replace 00-006-0046 and validated by calculated pattern 00-036-0432. Preferred orientation enhances 0k0 reflections. See ICSD 2057 (PDF 01-070-0982). d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d 7.630 100.0 54.0 0 2 0 11.588 5.794 0.066 0.823 4.283 100.0 95.0 0 2 1 20.722 10.361 0.117 1.467 3.799 17.0 18.0 1 3 0 23.397 11.698 0.132 1.654 3.799 17.0 18.0 0 4 0 23.397 11.698 0.132 1.654 3.172 4.0 5.0 1 1 1 28.108 14.054 0.158 1.981 3.065 75.0 100.0 0 4 1 29.111 14.555 0.163 2.050 2.873 45.0 64.0 -2 2 1 31.104 15.552 0.174 2.187 2.789 10.0 15.0 -1 1 2 32.065 16.033 0.179 2.253 2.732 2.0 3.0 1 3 1 32.753 16.376 0.183 2.300 2.685 35.0 53.0 1 5 0 33.343 16.671 0.186 2.340 2.685 35.0 53.0 2 2 0 33.343 16.671 0.186 2.340 2.597 6.0 9.0 -1 5 1 34.507 17.254 0.193 2.419 2.534 2.0 3.0 0 6 0 35.393 17.697 0.197 2.480 2.495 11.0 18.0 -2 0 2 35.965 17.983 0.200 2.518 2.476 1.0 2.0 -1 3 2 36.251 18.125 0.202 2.538 2.452 6.0 10.0 0 2 2 36.618 18.309 0.204 2.562 2.406 4.0 7.0 -2 4 1 37.344 18.672 0.208 2.611 2.291 1.0 2.0 2 4 0 39.293 19.647 0.218 2.743 2.219 15.0 28.0 1 5 1 40.624 20.312 0.225 2.832 2.142 2.0 4.0 0 4 2 42.152 21.076 0.233 2.933 2.086 25.0 49.0 -2 4 2 43.340 21.670 0.240 3.012 2.074 15.0 30.0 -3 1 1 43.604 21.802 0.241 3.030 2.074 15.0 30.0 -1 5 2 43.604 21.802 0.241 3.030 2.048 6.0 12.0 1 1 2 44.186 22.093 0.244 3.068 2.032 1.0 2.0 1 7 0 44.553 22.276 0.246 3.092 1.992 4.0 8.0 -1 7 1 45.497 22.748 0.251 3.154 1.963 3.0 6.0 -2 6 1 46.208 23.104 0.255 3.201 1.900 16.0 34.0 0 8 0 47.839 23.920 0.263 3.307 1.900 16.0 34.0 2 6 0 47.839 23.920 0.263 3.307 1.880 12.0 26.0 2 4 1 48.389 24.194 0.266 3.343 1.865 3.0 7.0 -1 1 3 48.789 24.395 0.268 3.369 1.812 13.0 29.0 0 6 2 50.320 25.160 0.276 3.468 1.799 6.0 14.0 -2 2 3 50.688 25.344 0.278 3.492 1.784 9.0 21.0 0 8 1 51.148 25.574 0.280 3.521 1.778 12.0 28.0 -2 6 2 51.330 25.665 0.281 3.533 1.709 1.0 2.0 1 5 2 53.570 26.785 0.293 3.676 1.685 3.0 7.0 0 2 3 54.419 27.210 0.297 3.730 1.664 6.0 15.0 -2 4 3 55.150 27.575 0.300 3.776 1.646 4.0 10.0 2 6 1 55.820 27.910 0.304 3.818 1.621 9.0 23.0 1 9 0 56.747 28.374 0.308 3.876 1.621 9.0 23.0 -2 8 1 56.747 28.374 0.308 3.876 1.600 1.0 3.0 -1 9 1 57.537 28.769 0.312 3.926 1.585 4.0 10.0 2 8 0 58.170 29.085 0.316 3.965 1.533 2.0 5.0 0 8 2 60.340 30.170 0.326 4.099 1.521 1.0 3.0 -4 2 2 60.857 30.429 0.329 4.131 1.521 1.0 3.0 0 10 0 60.857 30.429 0.329 4.131 1.512 1.0 3.0 -2 8 2 61.258 30.629 0.331 4.156 1.498 1.0 3.0 1 9 1 61.880 30.940 0.334 4.194 1.495 1.0 3.0 -2 6 3 62.040 31.020 0.335 4.204 1.459 3.0 8.0 0 10 1 63.729 31.865 0.343 4.306 1.459 3.0 8.0 -3 7 2 63.729 31.865 0.343 4.306 1.439 5.0 14.0 -4 4 1 64.717 32.358 0.347 4.366 1.435 3.0 9.0 3 7 0 64.909 32.455 0.348 4.377 1.428 2.0 6.0 0 6 3 65.297 32.649 0.350 4.401 1.428 2.0 6.0 2 8 1 65.297 32.649 0.350 4.401 1.418 3.0 9.0 -2 0 4 65.816 32.908 0.353 4.432 1.401 2.0 6.0 -4 2 3 66.681 33.340 0.357 4.483 1.366 5.0 15.0 -2 10 1 68.668 34.334 0.366 4.601 1.366 5.0 15.0 2 6 2 68.668 34.334 0.366 4.601 1.344 1.0 3.0 2 10 0 69.937 34.968 0.372 4.675 1.344 1.0 3.0 1 11 0 69.937 34.968 0.372 4.675 1.332 2.0 6.0 -1 11 1 70.636 35.318 0.375 4.716 1.326 4.0 12.0 -2 8 3 71.016 35.508 0.377 4.738 1.323 4.0 12.0 -4 6 2 71.189 35.595 0.378 4.748 1.278 1.0 3.0 0 8 3 74.096 37.048 0.391 4.914 1.272 1.0 3.0 1 11 1 74.525 37.263 0.393 4.939 1.267 1.0 3.0 0 12 0 74.856 37.428 0.395 4.958 1.248 3.0 10.0 -4 0 4 76.218 38.109 0.401 5.034 1.248 3.0 10.0 4 6 0 76.218 38.109 0.401 5.034 1.244 2.0 7.0 2 10 1 76.508 38.254 0.402 5.050 1.234 3.0 10.0 2 8 2 77.279 38.639 0.405 5.093 1.231 2.0 7.0 0 12 1 77.480 38.740 0.406 5.105 1.231 2.0 7.0 -4 2 4 77.480 38.740 0.406 5.105 |
4楼2010-01-05 07:42:50