Hemihedrite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140134 McLean W J, Anthony J W American Mineralogist 55 (1970) 1103-1114 The crystal structure of hemihedrite _database_code_amcsd 0000205 CELL PARAMETERS: 9.4920 11.4350 10.8280 120.446 92.060 55.872 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Pb 0.25910 0.11160 0.25940 1.000 1.473 Pb 0.26160 0.08620 0.65680 1.000 1.154 Pb 0.93060 0.24420 0.03060 1.000 1.237 Pb 0.73070 0.41650 0.75130 1.000 1.625 Pb 0.31710 0.45300 0.53160 1.000 1.369 Zn 0.00000 0.50000 0.00000 1.000 1.105 Cr 0.95910 0.07520 0.35550 1.000 1.332 Cr 0.56420 0.17580 0.15350 1.000 1.179 Cr 0.44700 0.32460 0.83690 1.000 1.165 Si 0.02290 0.45160 0.65940 1.000 0.529 O 0.75350 0.21930 0.48350 1.000 2.120 O 0.10790 0.07780 0.44360 1.000 2.380 O 0.99400 0.11840 0.73610 1.000 1.920 O 0.96770 0.11200 0.22940 1.000 2.360 O 0.51010 0.14070 0.27120 1.000 1.540 O 0.43180 0.19920 0.05730 1.000 2.160 O 0.77720 0.00820 0.02740 1.000 2.060 O 0.54050 0.35850 0.26860 1.000 1.760 O 0.59900 0.29690 0.91410 1.000 1.870 O 0.45590 0.39850 0.74420 1.000 2.450 O 0.23850 0.48150 0.97670 1.000 0.970 O 0.47940 0.13600 0.71830 1.000 1.540 O 0.20890 0.30530 0.51200 1.000 1.600 O 0.04210 0.38590 0.76770 1.000 1.200 O 0.99310 0.37170 0.25680 1.000 0.920 O 0.84750 0.47880 0.61340 1.000 1.180 F 0.14250 0.24880 0.93180 1.000 0.870 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 7 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 60.74939023 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.11 3.17 8.7514 0 0 1 10.14 1.23 8.7215 1 1 0 11.56 2.02 7.6553 0 1 0 12.01 4.22 7.3662 1 0 0 12.73 1.42 6.9522 1 0 1 16.09 7.32 5.5077 1 1 1 16.39 2.97 5.4094 0 -1 2 18.18 49.65 4.8800 1 2 0 18.24 18.90 4.8631 -1 0 1 18.30 2.63 4.8484 1 -1 1 18.95 24.55 4.6840 -1 -2 2 19.05 4.27 4.6580 2 1 0 20.22 9.67 4.3916 -1 -1 2 20.27 2.54 4.3802 -2 -2 1 20.29 4.75 4.3757 0 0 2 20.37 34.30 4.3607 2 2 0 20.52 1.76 4.3292 1 -1 2 20.85 1.32 4.2597 2 1 1 21.37 5.40 4.1580 -1 1 0 22.35 1.57 3.9784 -2 -1 1 22.70 25.91 3.9169 2 0 1 23.24 5.56 3.8277 0 2 0 24.12 12.05 3.6902 -1 -3 2 24.16 12.79 3.6831 2 0 0 24.41 6.23 3.6469 -2 -3 1 24.83 7.24 3.5859 -2 -2 2 25.06 1.74 3.5541 2 2 1 25.26 7.33 3.5264 0 -2 3 25.49 14.32 3.4942 0 -1 3 25.63 14.86 3.4761 2 0 2 25.71 11.52 3.4653 -2 -3 2 26.22 27.71 3.3992 -1 -2 3 26.78 8.43 3.3288 2 1 2 27.01 100.00 3.3009 1 -2 2 27.08 11.45 3.2924 -1 0 2 27.23 1.70 3.2754 2 3 0 27.76 1.34 3.2134 -1 -3 3 28.01 3.09 3.1859 1 -2 1 28.11 20.25 3.1742 -1 1 1 28.23 62.08 3.1616 3 2 0 28.73 71.36 3.1076 1 0 3 28.85 11.03 3.0948 0 1 2 28.93 11.68 3.0866 1 3 0 29.13 7.20 3.0659 -2 -1 2 29.40 11.99 3.0377 -2 0 1 29.55 1.07 3.0234 2 -1 2 29.68 1.02 3.0100 -3 -2 1 29.78 6.48 3.0002 -3 -3 1 29.79 14.57 2.9995 1 -2 3 30.05 2.00 2.9740 0 -3 3 30.17 1.62 2.9623 0 -3 1 30.42 6.29 2.9383 3 2 1 30.43 1.49 2.9375 3 1 0 30.50 45.56 2.9307 0 2 1 30.64 7.25 2.9175 -2 -3 3 30.65 4.72 2.9171 0 0 3 31.36 38.51 2.8523 -2 -4 2 32.22 33.18 2.7785 -2 -2 3 32.27 3.58 2.7737 -3 -3 2 32.45 5.07 2.7589 -1 2 0 32.96 14.08 2.7175 -1 -4 2 32.97 2.25 2.7169 -2 1 0 32.98 1.86 2.7163 2 -1 3 33.12 1.18 2.7047 0 -2 4 33.20 17.90 2.6983 2 3 1 33.48 10.11 2.6768 -2 -4 3 33.69 2.70 2.6606 -1 -4 3 33.88 3.33 2.6457 1 2 2 33.99 5.43 2.6373 -3 -1 1 34.26 3.60 2.6176 -3 -4 1 34.31 2.77 2.6139 -1 -3 4 34.33 2.14 2.6124 3 0 1 34.36 12.25 2.6098 -3 -2 2 34.42 1.14 2.6058 -3 -4 2 34.86 4.08 2.5739 1 1 3 34.92 2.39 2.5692 2 1 3 34.94 2.95 2.5678 3 3 1 34.96 4.75 2.5668 0 -3 4 35.14 6.40 2.5539 3 0 2 35.14 3.73 2.5538 1 -1 4 35.17 4.55 2.5518 0 3 0 35.17 2.81 2.5514 -1 -2 4 35.42 1.74 2.5339 0 -1 4 35.66 8.72 2.5180 3 2 2 36.60 5.87 2.4554 3 0 0 36.84 3.03 2.4400 2 4 0 36.88 1.49 2.4373 -1 0 3 36.97 1.09 2.4316 -2 0 2 37.15 4.26 2.4202 3 4 0 38.21 7.99 2.3551 4 3 0 38.61 1.40 2.3322 -4 -3 1 38.66 2.05 2.3290 4 2 0 38.71 15.49 2.3263 0 -4 2 38.86 4.59 2.3174 3 0 3 38.97 3.28 2.3109 0 1 3 39.02 2.12 2.3083 -2 1 1 39.02 1.96 2.3081 2 -2 1 39.12 1.04 2.3025 1 -3 1 39.15 6.95 2.3008 3 1 3 39.35 3.28 2.2898 0 2 2 39.89 1.22 2.2601 -2 -5 3 40.20 8.24 2.2434 -3 -5 2 40.44 1.21 2.2305 0 -4 4 41.22 12.32 2.1901 -4 -4 2 41.26 9.27 2.1879 0 0 4 41.31 2.98 2.1854 -3 -2 3 41.37 1.14 2.1823 4 1 1 41.41 2.83 2.1804 4 4 0 41.45 6.15 2.1787 2 2 3 41.49 4.58 2.1764 3 3 2 41.51 8.66 2.1754 -3 0 1 41.74 1.20 2.1640 -4 -3 2 41.97 3.86 2.1524 0 -4 1 42.30 4.36 2.1364 0 -2 5 42.33 2.81 2.1354 0 3 1 42.38 1.84 2.1329 -1 -5 3 42.56 6.35 2.1242 3 4 1 42.65 2.53 2.1198 4 1 0 43.22 1.68 2.0932 1 -2 5 43.36 3.43 2.0867 2 4 1 43.53 13.10 2.0793 -1 -4 5 43.53 4.72 2.0790 -2 2 0 43.55 3.19 2.0783 -1 -5 2 43.64 1.23 2.0741 1 2 3 43.81 1.85 2.0663 -1 -5 4 44.29 3.59 2.0453 -1 3 0 44.62 2.92 2.0307 1 -1 5 44.67 2.74 2.0286 -4 -5 1 44.88 1.79 2.0194 3 0 4 44.97 2.26 2.0158 -3 -3 4 45.03 11.30 2.0132 -4 -4 3 45.16 2.08 2.0076 1 -3 5 45.18 11.84 2.0069 0 -4 5 45.26 1.03 2.0036 1 1 4 45.34 6.28 2.0001 -3 1 0 45.46 3.07 1.9953 -2 -4 5 45.49 3.20 1.9941 4 3 2 45.60 4.12 1.9892 -4 -2 2 45.85 2.02 1.9793 1 -4 3 46.21 2.66 1.9646 3 -1 4 46.36 10.49 1.9584 4 0 2 46.59 1.22 1.9493 4 1 3 46.69 5.05 1.9454 -2 -3 5 46.77 2.67 1.9424 2 -3 2 46.81 2.16 1.9408 3 1 4 47.17 4.53 1.9268 -1 -5 1 47.33 4.97 1.9204 -2 -1 4 47.62 17.25 1.9096 2 -2 5 47.65 1.44 1.9085 1 4 1 47.73 3.36 1.9054 -1 2 2 47.86 3.68 1.9006 2 5 0 47.94 7.86 1.8978 4 2 3 47.96 3.15 1.8970 -3 -1 3 48.41 7.93 1.8804 4 0 3 48.44 6.76 1.8792 3 -2 3 48.54 1.21 1.8757 -3 -6 2 48.55 1.58 1.8754 0 -5 4 48.64 3.74 1.8718 3 -2 2 48.77 3.39 1.8672 5 4 0 49.14 1.98 1.8542 5 3 1 49.25 2.89 1.8500 2 0 5 49.39 1.09 1.8451 -2 -6 4 49.50 7.18 1.8416 4 0 0 49.62 3.22 1.8374 0 1 4 49.66 1.51 1.8359 3 3 3 49.78 1.43 1.8317 -3 -2 4 49.93 3.83 1.8266 5 2 1 49.97 1.83 1.8253 2 -3 1 50.02 6.88 1.8235 -4 -6 2 50.14 3.36 1.8194 1 -4 5 50.24 1.20 1.8160 0 -5 2 50.36 1.56 1.8120 -2 -6 2 50.44 3.35 1.8091 5 2 0 50.46 4.51 1.8085 -1 -1 5 50.66 1.48 1.8021 -3 -4 5 50.93 1.67 1.7929 -4 -4 4 50.96 2.28 1.7920 -2 -2 5 51.09 5.47 1.7878 1 -4 1 51.32 1.87 1.7803 -1 -4 6 51.32 2.14 1.7801 -1 3 1 51.33 1.75 1.7801 2 2 4 51.42 4.24 1.7770 4 4 2 51.54 1.42 1.7733 -3 -6 1 52.03 5.23 1.7575 -1 -3 6 52.21 1.29 1.7522 3 5 1 52.22 1.02 1.7516 1 -2 6 52.46 1.45 1.7443 5 5 0 52.52 5.65 1.7425 -1 -6 4 52.60 3.06 1.7399 3 0 5 52.66 2.30 1.7381 4 0 4 52.76 4.38 1.7350 4 5 1 53.21 2.58 1.7214 -5 -2 1 53.39 10.64 1.7161 -3 -6 5 53.71 1.24 1.7067 -3 -3 5 54.11 1.76 1.6949 1 3 3 54.12 3.62 1.6947 1 2 4 54.20 1.35 1.6924 -2 -6 1 54.37 2.77 1.6873 -4 -3 4 54.46 5.06 1.6848 -1 -6 5 54.57 1.92 1.6816 4 -1 1 54.62 1.39 1.6804 -5 -6 2 54.74 1.16 1.6770 -5 -4 3 54.78 1.61 1.6758 2 5 1 54.92 2.74 1.6719 1 -1 6 55.25 1.13 1.6626 -1 -6 2 55.61 3.42 1.6527 -1 -2 6 55.69 6.45 1.6505 2 -4 4 55.73 2.80 1.6495 2 -4 3 55.77 2.59 1.6483 -5 -6 3 55.78 1.04 1.6480 -3 2 0 55.85 3.38 1.6462 -2 0 4 55.97 5.32 1.6430 -2 1 3 56.19 4.43 1.6370 1 4 2 56.21 1.39 1.6365 1 1 5 56.58 2.70 1.6267 3 6 0 56.64 2.31 1.6251 -3 -7 3 56.76 1.07 1.6218 -1 1 4 56.79 1.89 1.6210 -3 0 3 56.82 2.65 1.6204 -1 4 0 57.78 4.26 1.5958 5 3 3 57.78 2.24 1.5956 2 -4 5 57.95 1.25 1.5913 -3 -5 6 58.00 2.77 1.5901 -5 -2 2 58.21 3.49 1.5850 -4 -7 2 58.27 3.08 1.5834 -1 0 5 58.38 1.97 1.5808 6 4 0 58.41 3.55 1.5799 -2 -7 4 58.50 3.74 1.5776 3 4 3 58.51 1.33 1.5776 0 -6 4 58.53 1.92 1.5770 -3 1 2 58.73 3.40 1.5720 5 6 0 58.88 1.16 1.5684 -3 -7 5 59.01 4.67 1.5654 -5 -6 4 59.03 2.43 1.5648 3 3 4 59.30 1.48 1.5583 1 -5 2 59.45 1.69 1.5547 -3 -4 6 59.49 2.81 1.5538 2 0 6 59.61 1.15 1.5509 6 3 1 59.66 1.39 1.5499 5 0 3 59.71 1.62 1.5487 -4 -1 3 59.72 1.95 1.5483 -1 -6 1 60.31 2.04 1.5346 0 -3 7 60.68 1.61 1.5263 5 1 4 60.84 1.03 1.5225 2 4 3 61.05 1.68 1.5177 -1 -5 7 61.09 1.46 1.5170 1 -3 7 61.32 1.15 1.5118 4 -2 2 61.63 5.17 1.5050 -6 -4 2 61.96 2.22 1.4978 -6 -6 1 62.02 1.40 1.4963 2 2 5 62.17 1.40 1.4932 5 5 2 62.69 2.43 1.4821 -3 -7 1 62.78 1.43 1.4801 6 2 2 63.11 1.10 1.4732 5 0 0 63.22 1.12 1.4709 0 -2 7 63.30 1.70 1.4692 6 4 2 63.32 1.34 1.4687 6 2 0 63.48 5.10 1.4653 0 4 2 63.84 2.78 1.4580 4 2 5 64.20 1.32 1.4508 -4 1 1 64.31 1.04 1.4486 -1 -6 7 64.31 1.29 1.4484 4 -2 1 65.40 1.36 1.4269 -5 -1 2 65.84 1.10 1.4185 -6 -7 2 65.97 1.18 1.4161 5 -1 2 67.25 1.04 1.3922 -6 -7 1 67.30 3.03 1.3913 0 -6 7 67.34 1.37 1.3904 5 0 5 67.41 1.13 1.3893 -4 -4 6 68.00 1.95 1.3787 -1 -7 2 68.10 1.02 1.3769 0 5 1 68.36 1.29 1.3723 3 4 4 68.43 2.70 1.3710 -5 -4 5 68.68 1.09 1.3666 3 -2 7 68.93 1.27 1.3623 4 1 6 69.42 1.29 1.3538 -3 -4 7 69.60 1.72 1.3509 0 -7 5 69.70 1.88 1.3491 4 6 2 69.82 1.99 1.3470 -4 -2 5 70.03 1.11 1.3435 3 -4 2 70.14 2.14 1.3418 -3 2 2 70.27 1.08 1.3396 2 -5 2 71.06 1.22 1.3266 1 -4 8 71.21 2.14 1.3242 0 2 5 71.57 1.23 1.3184 6 3 4 71.70 2.01 1.3164 4 -3 2 71.73 2.65 1.3159 -4 -6 7 72.09 2.45 1.3101 1 0 7 72.29 2.44 1.3069 -2 -6 8 72.38 1.38 1.3056 6 0 3 72.87 1.50 1.2980 1 -6 7 73.10 1.67 1.2945 5 7 1 73.11 1.57 1.2944 -6 -6 5 73.17 1.60 1.2935 -2 -2 7 73.52 1.56 1.2881 5 -2 3 73.54 1.40 1.2879 2 -3 8 74.35 1.69 1.2759 0 6 0 74.47 1.01 1.2740 -3 -3 7 74.66 1.60 1.2714 -3 3 1 75.35 3.46 1.2614 3 -4 7 75.69 1.77 1.2565 5 -2 5 75.93 1.17 1.2532 6 1 5 76.13 1.70 1.2504 2 6 2 77.15 1.25 1.2363 -3 0 5 77.82 1.14 1.2274 3 -2 8 78.26 1.70 1.2216 -6 -2 3 78.73 1.21 1.2155 4 6 3 79.28 2.19 1.2085 4 -4 5 79.95 2.08 1.1999 5 4 5 81.19 2.09 1.1847 6 6 3 81.89 1.00 1.1764 5 0 7 82.66 2.09 1.1674 -1 0 7 82.92 1.28 1.1644 2 4 5 83.18 1.15 1.1613 -1 4 3 83.25 1.49 1.1606 3 0 8 84.92 1.14 1.1420 -1 6 0 86.30 1.45 1.1272 2 2 7 88.94 1.77 1.1005 1 4 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.