Dufrenoysite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070579 Ribar B, Nicca C, Nowacki W Zeitschrift fur Kristallographie 130 (1969) 15-40 Dreidimensionale verfeinerung der kristallstruktur von dufrenoysit, Pb8As8S20 Locality: Lengenbach, Binnatal, Switzerland _database_code_amcsd 0010695 CELL PARAMETERS: 7.9100 25.6910 8.3440 90.000 90.410 90.000 SPACE GROUP: P2_1 ATOM X Y Z OCCUPANCY ISO(B) Pb 0.01420 0.00040 0.87580 1.000 2.644 Pb 0.97510 0.49750 0.63220 1.000 2.355 Pb 0.52530 0.09440 0.87590 1.000 3.297 Pb 0.51530 0.09510 0.38190 1.000 2.366 Pb 0.18970 0.22500 0.87990 1.000 1.885 Pb 0.31930 0.37230 0.13840 1.000 1.859 Pb 0.66670 0.25500 0.64480 1.000 1.293 Pb 0.21410 0.22810 0.39940 1.000 1.488 As 0.95670 0.14260 0.16870 1.000 1.748 As 0.94480 0.13450 0.63330 1.000 1.654 As 0.55900 0.46070 0.88870 1.000 1.949 As 0.54220 0.45140 0.44140 1.000 1.411 As 0.88370 0.36260 0.37480 1.000 1.673 As 0.88370 0.35180 0.95010 1.000 1.715 As 0.29870 0.35300 0.63910 1.000 2.002 As 0.63560 0.23430 0.11990 1.000 1.838 S 0.27140 0.03100 0.11930 1.000 2.271 S 0.79500 0.07200 0.13100 1.000 1.666 S 0.11920 0.11000 0.82200 1.000 1.408 S 0.40530 0.18170 0.12500 1.000 1.874 S 0.77410 0.19580 0.91500 1.000 1.997 S 0.44000 0.30810 0.40910 1.000 2.109 S 0.44880 0.30660 0.85350 1.000 2.343 S 0.06160 0.29760 0.63260 1.000 2.153 S 0.04300 0.29980 0.11500 1.000 1.990 S 0.07520 0.41360 0.89670 1.000 1.505 S 0.39260 0.48500 0.08750 1.000 1.149 S 0.73850 0.39770 0.15330 1.000 1.749 S 0.73060 0.40270 0.58850 1.000 1.674 S 0.30120 0.02170 0.60380 1.000 1.542 S 0.76980 0.06600 0.63160 1.000 2.215 S 0.10610 0.11340 0.39630 1.000 2.026 S 0.42480 0.18220 0.61670 1.000 1.563 S 0.77820 0.19260 0.31870 1.000 2.589 S 0.10490 0.41870 0.37550 1.000 2.055 S 0.39200 0.48190 0.66630 1.000 1.697 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 23 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 31.95650761 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.88 16.48 12.8455 0 2 0 11.15 2.19 7.9358 0 1 1 11.71 17.06 7.5596 1 1 0 12.65 4.43 6.9972 0 2 1 13.14 12.33 6.7353 1 2 0 13.79 8.29 6.4227 0 4 0 14.82 13.68 5.9762 0 3 1 15.25 8.28 5.8105 1 3 0 15.38 5.09 5.7610 -1 0 1 15.49 1.28 5.7200 1 0 1 15.76 1.76 5.6214 -1 1 1 15.87 4.21 5.5833 1 1 1 16.87 3.87 5.2565 -1 2 1 16.97 1.22 5.2253 1 2 1 17.42 3.53 5.0895 0 4 1 17.79 25.08 4.9860 1 4 0 18.56 1.88 4.7800 -1 3 1 20.30 17.92 4.3752 0 5 1 20.61 19.35 4.3089 1 5 0 20.71 2.89 4.2886 -1 4 1 20.74 6.93 4.2818 0 6 0 21.58 52.00 4.1180 0 1 2 22.48 6.69 3.9549 2 0 0 22.75 12.68 3.9089 2 1 0 23.20 1.43 3.8346 -1 5 1 23.35 8.11 3.8095 0 6 1 23.54 100.00 3.7798 2 2 0 23.63 58.89 3.7655 1 6 0 23.72 2.41 3.7505 0 3 2 24.05 5.60 3.7010 -1 0 2 24.19 2.39 3.6792 1 0 2 24.30 2.11 3.6632 -1 1 2 24.44 1.02 3.6421 1 1 2 24.80 21.49 3.5905 2 3 0 24.84 2.58 3.5837 -2 0 1 24.99 3.66 3.5639 2 0 1 25.04 33.05 3.5564 -1 2 2 25.18 39.89 3.5370 1 2 2 25.23 2.55 3.5301 2 1 1 25.93 2.47 3.4366 -1 6 1 25.95 4.79 3.4342 2 2 1 25.99 1.22 3.4278 1 6 1 26.23 54.60 3.3973 -1 3 2 26.36 43.24 3.3804 1 3 2 26.47 8.02 3.3677 2 4 0 26.53 1.13 3.3595 0 7 1 26.78 5.99 3.3292 1 7 0 26.97 1.57 3.3059 -2 3 1 27.10 2.67 3.2903 2 3 1 27.54 9.68 3.2388 0 5 2 27.78 58.43 3.2114 0 8 0 27.82 36.02 3.2067 -1 4 2 27.95 30.40 3.1925 1 4 2 28.48 48.53 3.1340 2 5 0 28.52 2.88 3.1295 -2 4 1 28.65 1.29 3.1163 2 4 1 28.84 2.35 3.0954 -1 7 1 28.90 1.50 3.0890 1 7 1 29.75 83.39 3.0031 -1 5 2 29.87 74.49 2.9914 1 5 2 30.03 23.07 2.9755 1 8 0 30.78 67.35 2.9052 2 6 0 31.05 7.45 2.8805 -2 0 2 31.25 6.22 2.8626 -2 1 2 31.28 9.07 2.8600 2 0 2 31.47 7.67 2.8424 2 1 2 31.84 10.51 2.8107 -2 2 2 31.90 1.49 2.8050 -1 8 1 31.96 4.40 2.8002 1 8 1 31.96 25.11 2.8000 -1 6 2 32.06 10.49 2.7916 2 2 2 32.07 25.62 2.7906 1 6 2 32.49 1.80 2.7556 0 7 2 32.58 1.14 2.7482 -2 6 1 32.69 2.08 2.7392 2 6 1 32.80 57.83 2.7302 -2 3 2 33.02 63.47 2.7127 2 3 2 33.30 12.98 2.6902 2 7 0 33.37 5.52 2.6851 1 9 0 34.09 3.09 2.6297 -1 0 3 34.11 4.20 2.6283 -2 4 2 34.19 4.12 2.6228 3 1 0 34.28 1.77 2.6160 -1 1 3 34.32 4.57 2.6127 2 4 2 34.41 1.12 2.6060 -1 7 2 34.44 5.86 2.6044 1 1 3 34.73 12.41 2.5828 3 2 0 34.82 2.05 2.5763 -1 2 3 34.92 2.22 2.5691 0 10 0 34.98 2.32 2.5652 1 2 3 35.08 1.23 2.5578 -1 9 1 35.13 4.28 2.5542 1 9 1 35.16 2.04 2.5522 0 4 3 35.27 1.81 2.5448 0 8 2 35.72 1.53 2.5138 -1 3 3 36.34 2.07 2.4722 -3 2 1 36.78 8.16 2.4434 1 10 0 36.85 5.60 2.4391 3 4 0 37.16 2.25 2.4194 1 8 2 37.20 1.05 2.4168 -3 3 1 37.64 1.01 2.3900 -2 6 2 37.71 1.91 2.3857 2 8 1 38.20 70.69 2.3559 0 9 2 38.36 1.24 2.3464 -1 10 1 38.38 1.31 2.3453 -3 4 1 38.41 1.82 2.3436 1 10 1 38.91 10.43 2.3146 2 9 0 39.78 4.03 2.2659 -2 7 2 39.85 1.53 2.2620 -3 5 1 39.88 5.77 2.2603 -1 9 2 39.96 3.96 2.2559 2 7 2 39.98 5.82 2.2553 1 9 2 39.99 1.45 2.2545 3 5 1 40.17 13.35 2.2451 3 6 0 40.26 6.29 2.2399 1 11 0 40.39 1.23 2.2329 2 2 3 40.49 1.11 2.2280 2 9 1 40.49 38.87 2.2276 -3 1 2 40.61 2.50 2.2216 3 0 2 40.77 29.34 2.2134 3 1 2 41.24 1.19 2.1891 3 2 2 41.75 3.31 2.1635 -3 3 2 41.93 13.59 2.1544 2 10 0 42.02 3.72 2.1504 3 3 2 42.14 2.43 2.1443 -2 8 2 42.20 6.17 2.1413 3 7 0 42.21 1.11 2.1409 0 12 0 42.28 1.61 2.1376 -1 7 3 42.32 2.75 2.1358 2 8 2 42.41 1.49 2.1313 1 7 3 42.85 9.33 2.1105 -1 10 2 42.94 8.56 2.1064 1 10 2 43.33 1.96 2.0880 -2 10 1 43.38 50.49 2.0859 0 0 4 43.42 1.16 2.0841 2 10 1 43.53 4.53 2.0791 0 1 4 43.81 3.84 2.0666 1 12 0 44.17 4.73 2.0503 -3 5 2 44.43 3.68 2.0392 3 5 2 44.46 4.50 2.0379 0 11 2 44.46 23.20 2.0378 3 8 0 44.69 1.80 2.0276 -2 9 2 44.86 1.24 2.0204 2 9 2 45.00 1.28 2.0143 -1 1 4 45.08 1.35 2.0111 2 11 0 45.17 1.23 2.0073 1 1 4 45.18 1.11 2.0068 -1 12 1 45.25 1.07 2.0038 2 6 3 45.61 1.93 1.9892 1 2 4 45.73 1.34 1.9839 0 4 4 45.78 2.23 1.9821 -3 6 2 45.89 2.61 1.9774 4 0 0 45.95 1.03 1.9751 -1 11 2 46.03 3.01 1.9720 3 6 2 46.03 1.72 1.9718 1 11 2 46.03 1.60 1.9716 4 1 0 46.41 2.27 1.9567 -2 11 1 46.46 7.13 1.9544 4 2 0 46.87 1.37 1.9384 -2 7 3 46.91 9.64 1.9368 3 9 0 46.98 1.30 1.9341 -1 9 3 47.10 1.06 1.9294 1 9 3 47.11 1.10 1.9290 2 7 3 47.15 4.90 1.9274 -1 4 4 47.17 17.21 1.9267 4 3 0 47.27 2.03 1.9230 0 13 1 47.31 3.56 1.9212 1 4 4 47.32 1.18 1.9211 4 0 1 47.42 2.34 1.9173 -2 10 2 47.42 3.25 1.9173 1 13 0 47.62 19.01 1.9095 -3 7 2 47.86 15.07 1.9006 3 7 2 48.25 1.35 1.8860 3 2 3 48.34 4.78 1.8828 2 12 0 48.41 1.97 1.8804 -1 5 4 48.55 1.92 1.8753 0 6 4 48.56 4.38 1.8746 1 5 4 49.16 9.57 1.8532 -1 12 2 49.24 9.49 1.8504 1 12 2 49.38 2.34 1.8457 -2 1 4 49.54 1.56 1.8400 3 10 0 49.54 1.59 1.8399 -3 4 3 49.60 1.43 1.8379 -2 12 1 49.68 3.96 1.8351 0 14 0 49.68 3.27 1.8350 -3 8 2 49.78 8.90 1.8316 -2 2 4 49.89 3.68 1.8278 3 4 3 49.91 5.23 1.8273 -1 6 4 49.92 4.48 1.8270 3 8 2 50.06 5.77 1.8220 1 6 4 50.09 9.69 1.8210 2 2 4 50.29 16.49 1.8141 -2 11 2 50.45 20.13 1.8090 2 11 2 50.45 5.58 1.8088 -2 3 4 50.75 1.10 1.7988 -3 5 3 50.76 1.09 1.7986 2 3 4 51.10 15.00 1.7876 1 14 0 51.10 4.57 1.7875 -4 1 2 51.14 4.69 1.7860 0 13 2 51.24 1.37 1.7828 -2 9 3 51.40 4.83 1.7777 4 1 2 51.47 1.14 1.7755 2 9 3 51.49 4.45 1.7747 -4 2 2 51.69 3.78 1.7685 2 4 4 51.71 3.08 1.7678 2 13 0 51.79 1.33 1.7652 1 7 4 51.80 5.02 1.7651 4 2 2 51.95 3.09 1.7603 -3 9 2 52.17 1.37 1.7532 3 9 2 52.20 2.73 1.7522 -3 6 3 52.30 13.61 1.7493 0 8 4 52.54 1.71 1.7418 3 6 3 52.56 5.78 1.7410 -2 5 4 52.86 3.81 1.7320 2 5 4 53.31 1.23 1.7183 -2 12 2 53.59 1.83 1.7102 -1 8 4 53.73 3.46 1.7059 1 8 4 53.93 1.22 1.7000 2 10 3 53.98 7.27 1.6987 -2 6 4 54.05 2.23 1.6965 0 12 3 54.21 2.29 1.6919 -4 5 2 54.27 8.46 1.6902 2 6 4 54.48 1.29 1.6842 0 9 4 54.50 1.41 1.6836 4 5 2 54.71 1.04 1.6778 0 15 1 54.84 4.91 1.6739 1 15 0 55.60 4.62 1.6530 -4 6 2 55.62 1.27 1.6525 -4 8 1 55.62 2.89 1.6524 -2 7 4 55.74 1.37 1.6492 -1 9 4 55.76 1.09 1.6486 4 8 1 55.89 5.66 1.6452 4 6 2 55.91 1.24 1.6446 2 7 4 56.15 1.69 1.6379 0 3 5 56.44 1.15 1.6302 3 0 4 56.47 2.34 1.6296 -2 13 2 56.51 3.08 1.6284 -3 2 4 56.61 2.77 1.6258 2 13 2 56.86 1.42 1.6194 0 10 4 56.94 2.71 1.6173 3 2 4 57.49 1.24 1.6030 4 7 2 57.99 1.18 1.5905 -3 4 4 58.08 2.33 1.5882 -1 10 4 58.12 3.14 1.5872 0 5 5 58.23 1.61 1.5844 0 15 2 58.35 1.07 1.5813 3 13 0 58.40 1.02 1.5801 3 4 4 58.67 1.55 1.5736 1 16 0 58.94 3.82 1.5670 4 10 0 59.41 6.40 1.5556 5 3 0 59.53 1.94 1.5528 -2 9 4 59.55 1.35 1.5525 3 13 1 59.75 1.23 1.5477 -2 14 2 59.81 1.79 1.5463 2 9 4 60.25 10.74 1.5361 5 4 0 60.39 2.88 1.5328 -3 6 4 60.44 1.79 1.5317 0 14 3 60.73 1.92 1.5250 1 11 4 60.80 3.24 1.5235 3 6 4 61.06 2.24 1.5176 -4 9 2 61.33 2.60 1.5116 4 9 2 61.44 7.29 1.5092 4 11 0 61.57 1.87 1.5062 3 14 0 61.78 4.07 1.5015 -2 10 4 61.92 1.68 1.4985 -3 7 4 62.05 4.67 1.4957 2 10 4 62.32 1.71 1.4899 3 7 4 62.60 1.00 1.4839 5 6 0 62.73 1.40 1.4812 3 14 1 63.12 1.33 1.4729 -5 2 2 63.29 2.35 1.4695 -1 12 4 63.66 5.39 1.4617 -3 8 4 63.70 3.43 1.4610 -5 3 2 63.82 1.47 1.4584 0 15 3 64.03 3.43 1.4543 5 3 2 64.06 4.23 1.4536 3 8 4 64.92 1.69 1.4363 3 15 0 65.18 2.73 1.4313 -4 2 4 65.25 1.05 1.4300 4 0 4 65.52 4.39 1.4246 -5 5 2 65.60 1.79 1.4231 -3 9 4 65.68 1.50 1.4217 -4 11 2 65.70 1.73 1.4212 4 2 4 65.72 6.70 1.4209 0 17 2 65.75 5.64 1.4203 -4 3 4 65.85 4.53 1.4184 5 5 2 65.94 1.07 1.4167 4 11 2 65.99 1.99 1.4156 3 9 4 66.20 1.71 1.4117 2 17 0 66.26 3.91 1.4105 4 3 4 66.58 1.57 1.4046 1 18 0 66.77 2.33 1.4011 -5 6 2 66.82 1.91 1.4000 -2 12 4 66.87 3.08 1.3991 -1 17 2 66.94 3.43 1.3979 1 17 2 67.08 1.39 1.3953 2 12 4 67.09 1.53 1.3952 5 6 2 67.45 1.78 1.3886 0 1 6 68.05 2.34 1.3778 0 14 4 68.26 2.40 1.3741 -4 12 2 68.41 5.26 1.3714 3 16 0 68.51 1.95 1.3696 4 12 2 69.05 1.58 1.3603 1 2 6 69.08 4.46 1.3597 -3 15 2 69.15 3.91 1.3584 -1 14 4 69.27 3.53 1.3564 3 15 2 69.28 3.27 1.3563 1 14 4 69.41 2.51 1.3540 -1 3 6 69.60 1.12 1.3508 1 3 6 70.18 1.31 1.3411 -1 4 6 70.37 1.78 1.3379 1 4 6 70.68 1.89 1.3328 1 19 0 70.75 1.28 1.3317 -1 18 2 71.01 1.85 1.3274 -4 13 2 71.16 4.58 1.3249 -1 5 6 71.26 1.77 1.3234 4 13 2 71.35 3.33 1.3219 1 5 6 71.73 1.39 1.3158 -5 9 2 72.04 1.41 1.3109 5 9 2 72.27 1.05 1.3073 2 1 6 72.32 1.02 1.3065 -1 15 4 72.45 2.13 1.3046 1 15 4 72.54 1.37 1.3031 1 6 6 72.77 2.75 1.2996 -2 3 6 73.14 2.19 1.2939 2 3 6 73.93 1.83 1.2820 -4 14 2 74.18 1.72 1.2784 4 14 2 74.59 2.77 1.2723 5 12 0 74.75 1.59 1.2701 -1 19 2 74.81 1.33 1.2692 1 19 2 75.47 2.40 1.2596 -6 0 2 75.58 1.01 1.2581 -6 1 2 75.71 1.49 1.2563 -4 10 4 75.84 1.60 1.2545 6 0 2 75.94 1.89 1.2530 6 1 2 76.07 1.54 1.2513 -5 3 4 76.14 3.39 1.2502 0 9 6 76.19 1.18 1.2495 4 10 4 76.67 1.81 1.2429 5 3 4 76.81 3.65 1.2410 -5 4 4 77.35 1.03 1.2336 -4 16 1 77.41 2.80 1.2328 5 4 4 77.45 2.18 1.2323 -3 1 6 77.93 2.58 1.2259 -4 11 4 78.00 1.53 1.2250 3 1 6 78.08 2.11 1.2240 -2 19 2 78.20 2.87 1.2224 2 19 2 78.25 2.64 1.2217 2 20 0 78.42 1.71 1.2196 4 11 4 78.42 1.63 1.2195 6 8 0 79.23 1.03 1.2090 1 21 0 80.20 1.17 1.1968 6 9 0 81.08 1.45 1.1860 -5 13 2 81.38 1.25 1.1824 5 13 2 82.10 1.06 1.1739 0 21 2 82.21 2.26 1.1726 -6 8 2 82.49 2.68 1.1694 -3 7 6 82.56 1.76 1.1685 6 8 2 82.62 1.29 1.1678 0 22 0 82.80 1.25 1.1658 -1 18 4 83.02 1.58 1.1632 3 7 6 83.89 1.28 1.1533 -5 14 2 84.33 1.08 1.1485 6 9 2 84.38 2.59 1.1479 -3 16 4 84.57 1.45 1.1458 -2 11 6 84.74 1.83 1.1440 3 16 4 84.93 2.33 1.1419 2 11 6 86.45 1.30 1.1256 7 2 0 86.97 1.33 1.1203 7 3 0 88.62 1.65 1.1036 7 5 0 89.76 1.23 1.0926 7 6 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.