Hemihedrite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R141184 McLean W J, Anthony J W American Mineralogist 55 (1970) 1103-1114 The crystal structure of hemihedrite _database_code_amcsd 0000205 CELL PARAMETERS: 9.4760 11.4250 10.8420 120.590 92.060 55.866 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Pb 0.25910 0.11160 0.25940 1.000 1.471 Pb 0.26160 0.08620 0.65680 1.000 1.152 Pb 0.93060 0.24420 0.03060 1.000 1.235 Pb 0.73070 0.41650 0.75130 1.000 1.620 Pb 0.31710 0.45300 0.53160 1.000 1.365 Zn 0.00000 0.50000 0.00000 1.000 1.102 Cr 0.95910 0.07520 0.35550 1.000 1.329 Cr 0.56420 0.17580 0.15350 1.000 1.176 Cr 0.44700 0.32460 0.83690 1.000 1.163 Si 0.02290 0.45160 0.65940 1.000 0.528 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: 61.07959570 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.12 3.16 8.7417 0 0 1 10.16 1.23 8.7066 1 1 0 11.60 2.01 7.6298 0 1 0 12.05 4.20 7.3465 1 0 0 12.74 1.42 6.9497 1 0 1 16.12 7.30 5.4978 1 1 1 16.37 2.99 5.4162 0 -1 2 18.23 49.46 4.8673 1 2 0 18.29 18.82 4.8494 -1 0 1 18.33 2.62 4.8404 1 -1 1 18.93 24.65 4.6876 -1 -2 2 19.09 4.26 4.6493 2 1 0 20.23 9.67 4.3886 -1 -1 2 20.30 2.54 4.3753 -2 -2 1 20.32 4.75 4.3709 0 0 2 20.40 34.24 4.3533 2 2 0 20.51 1.77 4.3309 1 -1 2 20.88 1.32 4.2545 2 1 1 21.44 5.37 4.1444 -1 1 0 22.39 1.56 3.9699 -2 -1 1 22.74 25.87 3.9109 2 0 1 23.32 5.53 3.8149 0 2 0 24.12 12.07 3.6898 -1 -3 2 24.23 12.74 3.6733 2 0 0 24.44 6.22 3.6422 -2 -3 1 24.85 7.24 3.5833 -2 -2 2 25.10 1.73 3.5474 2 2 1 25.22 7.38 3.5314 0 -2 3 25.48 14.37 3.4964 0 -1 3 25.64 14.88 3.4748 2 0 2 25.71 11.54 3.4646 -2 -3 2 26.20 27.82 3.4018 -1 -2 3 26.80 8.43 3.3259 2 1 2 27.03 100.00 3.2982 1 -2 2 27.15 11.40 3.2846 -1 0 2 27.29 1.69 3.2681 2 3 0 27.73 1.34 3.2168 -1 -3 3 28.08 3.08 3.1780 1 -2 1 28.21 20.11 3.1633 -1 1 1 28.27 61.94 3.1563 3 2 0 28.73 71.50 3.1072 1 0 3 28.93 10.98 3.0867 0 1 2 29.01 11.61 3.0775 1 3 0 29.19 7.18 3.0598 -2 -1 2 29.49 11.92 3.0287 -2 0 1 29.57 1.07 3.0207 2 -1 2 29.73 1.02 3.0048 -3 -2 1 29.77 14.62 3.0013 1 -2 3 29.82 6.47 2.9962 -3 -3 1 30.03 2.01 2.9757 0 -3 3 30.25 1.62 2.9548 0 -3 1 30.47 6.28 2.9340 3 2 1 30.50 1.48 2.9312 3 1 0 30.61 45.22 2.9206 0 2 1 30.63 7.27 2.9184 -2 -3 3 30.68 4.71 2.9139 0 0 3 31.39 38.52 2.8502 -2 -4 2 32.24 33.19 2.7767 -2 -2 3 32.31 3.57 2.7711 -3 -3 2 32.57 5.03 2.7496 -1 2 0 32.97 1.86 2.7167 2 -1 3 33.00 14.06 2.7141 -1 -4 2 33.07 2.24 2.7084 -2 1 0 33.08 1.19 2.7081 0 -2 4 33.29 17.81 2.6915 2 3 1 33.47 10.14 2.6776 -2 -4 3 33.68 2.71 2.6610 -1 -4 3 33.97 3.31 2.6389 1 2 2 34.08 5.40 2.6308 -3 -1 1 34.26 2.78 2.6171 -1 -3 4 34.31 3.59 2.6138 -3 -4 1 34.40 2.13 2.6072 3 0 1 34.42 12.22 2.6054 -3 -2 2 34.44 1.14 2.6038 -3 -4 2 34.91 4.78 2.5702 0 -3 4 34.91 4.07 2.5701 1 1 3 34.95 2.39 2.5672 2 1 3 35.01 2.94 2.5630 3 3 1 35.11 3.75 2.5558 1 -1 4 35.16 2.82 2.5524 -1 -2 4 35.18 6.39 2.5512 3 0 2 35.29 4.51 2.5433 0 3 0 35.42 1.75 2.5344 0 -1 4 35.70 8.70 2.5147 3 2 2 36.70 5.84 2.4488 3 0 0 36.94 3.02 2.4336 2 4 0 36.96 1.48 2.4323 -1 0 3 37.08 1.09 2.4247 -2 0 2 37.23 4.24 2.4152 3 4 0 38.28 7.97 2.3513 4 3 0 38.67 1.40 2.3284 -4 -3 1 38.74 2.04 2.3247 4 2 0 38.78 15.44 2.3220 0 -4 2 38.88 4.60 2.3166 3 0 3 39.07 3.27 2.3057 0 1 3 39.13 1.95 2.3019 2 -2 1 39.16 2.10 2.3006 -2 1 1 39.18 6.96 2.2995 3 1 3 39.24 1.04 2.2959 1 -3 1 39.48 3.25 2.2826 0 2 2 39.90 1.22 2.2593 -2 -5 3 40.24 8.23 2.2410 -3 -5 2 40.42 1.22 2.2318 0 -4 4 41.27 12.30 2.1876 -4 -4 2 41.31 9.25 2.1854 0 0 4 41.38 2.97 2.1820 -3 -2 3 41.45 1.13 2.1784 4 1 1 41.49 2.82 2.1767 4 4 0 41.52 6.13 2.1750 2 2 3 41.57 4.56 2.1723 3 3 2 41.64 8.60 2.1690 -3 0 1 41.81 1.20 2.1607 -4 -3 2 42.10 3.84 2.1463 0 -4 1 42.26 4.38 2.1383 0 -2 5 42.41 1.84 2.1312 -1 -5 3 42.48 2.79 2.1280 0 3 1 42.66 6.31 2.1193 3 4 1 42.76 2.51 2.1149 4 1 0 43.17 1.69 2.0956 1 -2 5 43.46 13.19 2.0820 -1 -4 5 43.49 3.41 2.0807 2 4 1 43.63 3.18 2.0743 -1 -5 2 43.68 4.68 2.0722 -2 2 0 43.75 1.22 2.0692 1 2 3 43.80 1.85 2.0668 -1 -5 4 44.44 3.56 2.0384 -1 3 0 44.60 2.93 2.0318 1 -1 5 44.74 2.73 2.0255 -4 -5 1 44.88 1.80 2.0194 3 0 4 45.00 2.26 2.0145 -3 -3 4 45.07 11.29 2.0115 -4 -4 3 45.11 2.09 2.0099 1 -3 5 45.12 11.91 2.0094 0 -4 5 45.32 1.03 2.0008 1 1 4 45.42 3.08 1.9970 -2 -4 5 45.49 6.24 1.9941 -3 1 0 45.56 3.19 1.9911 4 3 2 45.71 4.10 1.9850 -4 -2 2 45.91 2.01 1.9769 1 -4 3 46.21 2.67 1.9647 3 -1 4 46.44 10.46 1.9555 4 0 2 46.63 1.22 1.9478 4 1 3 46.68 5.07 1.9458 -2 -3 5 46.83 2.16 1.9400 3 1 4 46.88 2.65 1.9381 2 -3 2 47.31 4.50 1.9216 -1 -5 1 47.42 4.95 1.9172 -2 -1 4 47.58 17.34 1.9112 2 -2 5 47.82 1.43 1.9022 1 4 1 47.90 3.33 1.8990 -1 2 2 47.99 7.85 1.8959 4 2 3 48.01 3.65 1.8952 2 5 0 48.08 3.13 1.8925 -3 -1 3 48.45 7.93 1.8787 4 0 3 48.50 6.75 1.8770 3 -2 3 48.56 1.58 1.8748 0 -5 4 48.62 1.21 1.8728 -3 -6 2 48.75 3.72 1.8680 3 -2 2 48.86 3.38 1.8642 5 4 0 49.22 1.98 1.8513 5 3 1 49.25 2.90 1.8501 2 0 5 49.40 1.09 1.8449 -2 -6 4 49.64 7.12 1.8366 4 0 0 49.72 3.20 1.8336 0 1 4 49.75 1.51 1.8326 3 3 3 49.86 1.43 1.8290 -3 -2 4 50.02 3.81 1.8235 5 2 1 50.09 6.86 1.8211 -4 -6 2 50.11 3.38 1.8206 1 -4 5 50.12 1.81 1.8199 2 -3 1 50.36 1.19 1.8118 0 -5 2 50.46 1.56 1.8085 -2 -6 2 50.51 4.51 1.8068 -1 -1 5 50.55 3.34 1.8055 5 2 0 50.65 1.48 1.8022 -3 -4 5 50.97 1.67 1.7916 -4 -4 4 51.00 2.28 1.7907 -2 -2 5 51.25 1.89 1.7827 -1 -4 6 51.25 5.42 1.7825 1 -4 1 51.41 1.75 1.7772 2 2 4 51.52 2.12 1.7738 -1 3 1 51.52 4.22 1.7737 4 4 2 51.66 1.41 1.7694 -3 -6 1 51.99 5.26 1.7589 -1 -3 6 52.17 1.03 1.7533 1 -2 6 52.35 1.28 1.7476 3 5 1 52.54 5.65 1.7416 -1 -6 4 52.55 1.44 1.7413 5 5 0 52.60 3.07 1.7401 3 0 5 52.68 2.30 1.7374 4 0 4 52.88 4.36 1.7313 4 5 1 53.34 2.56 1.7176 -5 -2 1 53.36 10.68 1.7170 -3 -6 5 53.74 1.24 1.7056 -3 -3 5 54.24 3.60 1.6911 1 2 4 54.28 1.75 1.6901 1 3 3 54.35 1.34 1.6880 -2 -6 1 54.44 5.08 1.6854 -1 -6 5 54.45 2.76 1.6850 -4 -3 4 54.69 1.39 1.6783 -5 -6 2 54.72 1.91 1.6774 4 -1 1 54.82 1.16 1.6746 -5 -4 3 54.90 2.75 1.6723 1 -1 6 54.96 1.60 1.6707 2 5 1 55.39 1.12 1.6588 -1 -6 2 55.61 3.42 1.6526 -1 -2 6 55.74 6.44 1.6491 2 -4 4 55.82 2.59 1.6469 -5 -6 3 55.83 2.79 1.6467 2 -4 3 55.98 1.03 1.6428 -3 2 0 55.99 3.36 1.6423 -2 0 4 56.15 5.27 1.6380 -2 1 3 56.29 1.39 1.6344 1 1 5 56.39 4.39 1.6317 1 4 2 56.71 2.30 1.6231 -3 -7 3 56.74 2.68 1.6224 3 6 0 56.92 1.06 1.6177 -1 1 4 56.97 1.87 1.6165 -3 0 3 57.03 2.62 1.6149 -1 4 0 57.79 2.24 1.5955 2 -4 5 57.85 4.25 1.5938 5 3 3 57.92 1.26 1.5922 -3 -5 6 58.15 2.75 1.5864 -5 -2 2 58.31 3.48 1.5824 -4 -7 2 58.38 3.06 1.5807 -1 0 5 58.46 3.55 1.5787 -2 -7 4 58.48 1.96 1.5782 6 4 0 58.57 1.33 1.5760 0 -6 4 58.65 3.71 1.5740 3 4 3 58.74 1.90 1.5719 -3 1 2 58.85 3.38 1.5691 5 6 0 58.87 1.16 1.5687 -3 -7 5 59.04 4.68 1.5645 -5 -6 4 59.14 2.42 1.5622 3 3 4 59.45 1.69 1.5547 -3 -4 6 59.47 1.47 1.5543 1 -5 2 59.50 2.81 1.5536 2 0 6 59.72 1.15 1.5483 6 3 1 59.74 1.39 1.5479 5 0 3 59.88 1.61 1.5447 -4 -1 3 59.91 1.94 1.5439 -1 -6 1 60.25 2.05 1.5362 0 -3 7 60.72 1.61 1.5252 5 1 4 60.96 1.69 1.5198 -1 -5 7 61.00 1.47 1.5189 1 -3 7 61.03 1.02 1.5184 2 4 3 61.47 1.14 1.5084 4 -2 2 61.75 5.15 1.5024 -6 -4 2 62.06 2.21 1.4955 -6 -6 1 62.13 1.40 1.4941 2 2 5 62.30 1.40 1.4904 5 5 2 62.86 2.41 1.4785 -3 -7 1 62.88 1.43 1.4779 6 2 2 63.19 1.12 1.4714 0 -2 7 63.29 1.09 1.4693 5 0 0 63.41 1.70 1.4670 6 4 2 63.47 1.33 1.4656 6 2 0 63.73 5.04 1.4603 0 4 2 63.90 2.78 1.4568 4 2 5 64.22 1.05 1.4504 -1 -6 7 64.43 1.31 1.4462 -4 1 1 64.51 1.28 1.4444 4 -2 1 65.60 1.35 1.4230 -5 -1 2 65.94 1.10 1.4165 -6 -7 2 66.12 1.18 1.4131 5 -1 2 67.22 3.05 1.3927 0 -6 7 67.37 1.37 1.3899 5 0 5 67.37 1.04 1.3899 -6 -7 1 67.46 1.13 1.3884 -4 -4 6 68.19 1.93 1.3752 -1 -7 2 68.37 1.01 1.3722 0 5 1 68.53 2.70 1.3693 -5 -4 5 68.53 1.28 1.3693 3 4 4 68.62 1.10 1.3676 3 -2 7 68.95 1.28 1.3619 4 1 6 69.43 1.29 1.3537 -3 -4 7 69.65 1.72 1.3499 0 -7 5 69.90 1.86 1.3457 4 6 2 69.98 1.98 1.3445 -4 -2 5 70.24 1.10 1.3400 3 -4 2 70.41 2.12 1.3372 -3 2 2 70.48 1.07 1.3360 2 -5 2 70.95 1.23 1.3283 1 -4 8 71.40 2.13 1.3210 0 2 5 71.65 1.22 1.3170 6 3 4 71.70 2.66 1.3164 -4 -6 7 71.91 2.00 1.3131 4 -3 2 72.15 2.45 1.3093 1 0 7 72.19 2.46 1.3085 -2 -6 8 72.51 1.38 1.3036 6 0 3 72.82 1.51 1.2988 1 -6 7 73.18 1.57 1.2933 -6 -6 5 73.24 1.60 1.2924 -2 -2 7 73.29 1.66 1.2916 5 7 1 73.44 1.41 1.2893 2 -3 8 73.68 1.55 1.2858 5 -2 3 74.54 1.01 1.2731 -3 -3 7 74.64 1.67 1.2716 0 6 0 74.96 1.58 1.2670 -3 3 1 75.30 3.48 1.2620 3 -4 7 75.76 1.77 1.2556 5 -2 5 75.98 1.17 1.2524 6 1 5 76.41 1.69 1.2464 2 6 2 77.38 1.24 1.2332 -3 0 5 77.75 1.14 1.2283 3 -2 8 78.49 1.69 1.2186 -6 -2 3 78.96 1.21 1.2124 4 6 3 79.37 2.19 1.2072 4 -4 5 80.09 2.08 1.1982 5 4 5 81.38 2.08 1.1825 6 6 3 81.89 1.00 1.1764 5 0 7 82.82 2.08 1.1655 -1 0 7 83.17 1.27 1.1615 2 4 5 83.25 1.50 1.1606 3 0 8 83.53 1.14 1.1574 -1 4 3 85.28 1.13 1.1381 -1 6 0 86.45 1.45 1.1256 2 2 7 89.25 1.76 1.0975 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.