Hemihedrite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050551 McLean W J, Anthony J W American Mineralogist 55 (1970) 1103-1114 The crystal structure of hemihedrite CELL PARAMETERS: 9.4700 11.4010 10.8000 120.390 92.050 55.880 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Pb 0.25910 0.11160 0.25940 1.000 1.466 Pb 0.26160 0.08620 0.65680 1.000 1.149 Pb 0.93060 0.24420 0.03060 1.000 1.231 Pb 0.73070 0.41650 0.75130 1.000 1.618 Pb 0.31710 0.45300 0.53160 1.000 1.363 Zn 0.00000 0.50000 0.00000 1.000 1.100 Cr 0.95910 0.07520 0.35550 1.000 1.326 Cr 0.56420 0.17580 0.15350 1.000 1.174 Cr 0.44700 0.32460 0.83690 1.000 1.160 Si 0.02290 0.45160 0.65940 1.000 0.527 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: 61.17518777 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.13 3.18 8.7363 0 0 1 10.17 1.23 8.7000 1 1 0 11.58 2.03 7.6398 0 1 0 12.04 4.23 7.3520 1 0 0 12.76 1.42 6.9355 1 0 1 16.12 7.33 5.4968 1 1 1 16.43 2.97 5.3956 0 -1 2 18.22 49.73 4.8686 1 2 0 18.27 18.97 4.8555 -1 0 1 18.34 2.63 4.8366 1 -1 1 19.00 24.56 4.6706 -1 -2 2 19.10 4.27 4.6478 2 1 0 20.26 9.69 4.3829 -1 -1 2 20.33 2.55 4.3692 -2 -2 1 20.33 4.77 4.3682 0 0 2 20.42 34.34 4.3500 2 2 0 20.57 1.77 4.3175 1 -1 2 20.90 1.32 4.2500 2 1 1 21.41 5.42 4.1503 -1 1 0 22.39 1.57 3.9707 -2 -1 1 22.75 25.95 3.9080 2 0 1 23.29 5.58 3.8199 0 2 0 24.19 12.04 3.6788 -1 -3 2 24.21 12.83 3.6760 2 0 0 24.48 6.23 3.6367 -2 -3 1 24.89 7.25 3.5777 -2 -2 2 25.11 1.74 3.5463 2 2 1 25.33 7.34 3.5163 0 -2 3 25.55 14.34 3.4865 0 -1 3 25.69 14.88 3.4677 2 0 2 25.78 11.52 3.4554 -2 -3 2 26.28 27.73 3.3908 -1 -2 3 26.84 8.44 3.3216 2 1 2 27.09 100.00 3.2920 1 -2 2 27.13 11.48 3.2873 -1 0 2 27.29 1.70 3.2674 2 3 0 27.85 1.34 3.2037 -1 -3 3 28.07 3.10 3.1786 1 -2 1 28.16 20.31 3.1691 -1 1 1 28.29 62.14 3.1543 3 2 0 28.79 71.48 3.1012 1 0 3 28.89 11.06 3.0900 0 1 2 28.99 11.69 3.0798 1 3 0 29.18 7.22 3.0605 -2 -1 2 29.45 12.02 3.0326 -2 0 1 29.62 1.07 3.0159 2 -1 2 29.75 1.02 3.0034 -3 -2 1 29.86 6.49 2.9926 -3 -3 1 29.87 14.56 2.9910 1 -2 3 30.14 2.00 2.9650 0 -3 3 30.24 1.62 2.9551 0 -3 1 30.49 6.30 2.9315 3 2 1 30.50 1.49 2.9314 3 1 0 30.56 45.67 2.9257 0 2 1 30.70 4.73 2.9121 0 0 3 30.73 7.25 2.9098 -2 -3 3 31.46 38.47 2.8438 -2 -4 2 32.29 33.22 2.7727 -2 -2 3 32.36 3.58 2.7669 -3 -3 2 32.52 5.07 2.7537 -1 2 0 33.03 2.26 2.7118 -2 1 0 33.06 14.07 2.7096 -1 -4 2 33.06 1.85 2.7093 2 -1 3 33.21 1.18 2.6978 0 -2 4 33.27 17.92 2.6926 2 3 1 33.58 10.10 2.6688 -2 -4 3 33.79 2.69 2.6523 -1 -4 3 33.94 3.34 2.6412 1 2 2 34.06 5.44 2.6323 -3 -1 1 34.35 3.59 2.6106 -3 -4 1 34.40 2.14 2.6067 3 0 1 34.40 2.76 2.6067 -1 -3 4 34.43 12.26 2.6045 -3 -2 2 34.52 1.13 2.5986 -3 -4 2 34.92 4.09 2.5694 1 1 3 35.00 2.39 2.5639 2 1 3 35.02 2.95 2.5620 3 3 1 35.06 4.75 2.5592 0 -3 4 35.22 6.40 2.5479 3 0 2 35.23 3.73 2.5478 1 -1 4 35.24 4.55 2.5466 0 3 0 35.26 2.82 2.5457 -1 -2 4 35.50 1.74 2.5287 0 -1 4 35.74 8.72 2.5124 3 2 2 36.67 5.88 2.4507 3 0 0 36.93 3.04 2.4343 2 4 0 36.94 1.49 2.4335 -1 0 3 37.03 1.10 2.4277 -2 0 2 37.24 4.26 2.4142 3 4 0 38.31 7.99 2.3496 4 3 0 38.70 1.41 2.3267 -4 -3 1 38.75 2.05 2.3239 4 2 0 38.81 15.47 2.3201 0 -4 2 38.96 4.59 2.3118 3 0 3 39.04 3.29 2.3073 0 1 3 39.09 2.12 2.3045 -2 1 1 39.11 1.96 2.3032 2 -2 1 39.21 1.04 2.2974 1 -3 1 39.25 6.96 2.2956 3 1 3 39.41 3.28 2.2862 0 2 2 40.02 1.21 2.2532 -2 -5 3 40.32 8.22 2.2370 -3 -5 2 40.57 1.21 2.2237 0 -4 4 41.33 12.30 2.1846 -4 -4 2 41.34 9.28 2.1841 0 0 4 41.39 2.99 2.1813 -3 -2 3 41.47 1.14 2.1775 4 1 1 41.52 2.82 2.1750 4 4 0 41.53 6.16 2.1746 2 2 3 41.58 4.58 2.1718 3 3 2 41.59 8.68 2.1716 -3 0 1 41.84 1.20 2.1592 -4 -3 2 42.08 3.86 2.1475 0 -4 1 42.40 2.82 2.1316 0 3 1 42.41 4.35 2.1314 0 -2 5 42.51 1.84 2.1265 -1 -5 3 42.66 6.35 2.1194 3 4 1 42.74 2.53 2.1154 4 1 0 43.34 1.68 2.0878 1 -2 5 43.46 3.43 2.0824 2 4 1 43.62 4.73 2.0751 -2 2 0 43.66 13.07 2.0733 -1 -4 5 43.67 3.19 2.0726 -1 -5 2 43.72 1.23 2.0706 1 2 3 43.96 1.84 2.0598 -1 -5 4 44.38 3.60 2.0414 -1 3 0 44.73 2.92 2.0263 1 -1 5 44.79 2.74 2.0233 -4 -5 1 45.00 1.79 2.0146 3 0 4 45.07 2.26 2.0115 -3 -3 4 45.15 11.29 2.0084 -4 -4 3 45.30 2.08 2.0020 1 -3 5 45.32 11.81 2.0009 0 -4 5 45.34 1.03 2.0001 1 1 4 45.43 6.29 1.9964 -3 1 0 45.59 3.07 1.9900 -2 -4 5 45.60 3.20 1.9896 4 3 2 45.70 4.12 1.9853 -4 -2 2 45.98 2.01 1.9739 1 -4 3 46.33 2.66 1.9597 3 -1 4 46.47 10.49 1.9540 4 0 2 46.71 1.22 1.9448 4 1 3 46.80 5.05 1.9410 -2 -3 5 46.89 2.67 1.9378 2 -3 2 46.92 2.16 1.9366 3 1 4 47.29 4.53 1.9222 -1 -5 1 47.42 4.98 1.9172 -2 -1 4 47.75 1.44 1.9048 1 4 1 47.75 17.22 1.9046 2 -2 5 47.81 3.37 1.9024 -1 2 2 47.98 3.68 1.8962 2 5 0 48.04 3.16 1.8938 -3 -1 3 48.05 7.86 1.8935 4 2 3 48.53 7.93 1.8759 4 0 3 48.57 6.75 1.8745 3 -2 3 48.68 1.21 1.8704 -3 -6 2 48.70 1.58 1.8698 0 -5 4 48.76 3.73 1.8676 3 -2 2 48.90 3.39 1.8627 5 4 0 49.26 1.98 1.8499 5 3 1 49.37 2.89 1.8461 2 0 5 49.56 1.09 1.8394 -2 -6 4 49.60 7.18 1.8380 4 0 0 49.70 3.23 1.8345 0 1 4 49.76 1.51 1.8323 3 3 3 49.88 1.43 1.8284 -3 -2 4 50.05 3.83 1.8225 5 2 1 50.08 1.83 1.8214 2 -3 1 50.17 6.86 1.8184 -4 -6 2 50.30 3.35 1.8140 1 -4 5 50.38 1.20 1.8114 0 -5 2 50.51 1.56 1.8071 -2 -6 2 50.56 3.36 1.8053 5 2 0 50.56 4.52 1.8052 -1 -1 5 50.79 1.48 1.7978 -3 -4 5 51.06 1.67 1.7888 -4 -4 4 51.06 2.28 1.7886 -2 -2 5 51.21 5.47 1.7839 1 -4 1 51.42 2.15 1.7770 -1 3 1 51.43 1.76 1.7768 2 2 4 51.47 1.87 1.7756 -1 -4 6 51.54 4.24 1.7732 4 4 2 51.68 1.42 1.7687 -3 -6 1 52.17 5.23 1.7534 -1 -3 6 52.33 1.29 1.7484 3 5 1 52.36 1.02 1.7473 1 -2 6 52.60 1.45 1.7400 5 5 0 52.69 5.63 1.7372 -1 -6 4 52.73 3.06 1.7359 3 0 5 52.80 2.29 1.7339 4 0 4 52.89 4.38 1.7310 4 5 1 53.32 2.58 1.7180 -5 -2 1 53.56 10.60 1.7110 -3 -6 5 53.83 1.24 1.7032 -3 -3 5 54.21 1.77 1.6921 1 3 3 54.21 3.62 1.6919 1 2 4 54.34 1.34 1.6882 -2 -6 1 54.49 2.77 1.6840 -4 -3 4 54.65 5.05 1.6795 -1 -6 5 54.69 1.92 1.6782 4 -1 1 54.77 1.39 1.6759 -5 -6 2 54.87 1.16 1.6732 -5 -4 3 54.90 1.61 1.6723 2 5 1 55.04 2.74 1.6683 1 -1 6 55.41 1.13 1.6583 -1 -6 2 55.73 3.42 1.6494 -1 -2 6 55.86 6.43 1.6460 2 -4 4 55.88 2.80 1.6453 2 -4 3 55.89 1.04 1.6449 -3 2 0 55.93 2.59 1.6439 -5 -6 3 55.94 3.38 1.6437 -2 0 4 56.06 5.33 1.6405 -2 1 3 56.30 4.44 1.6341 1 4 2 56.31 1.39 1.6337 1 1 5 56.72 2.70 1.6229 3 6 0 56.82 2.30 1.6203 -3 -7 3 56.86 1.07 1.6194 -1 1 4 56.89 1.89 1.6185 -3 0 3 56.94 2.65 1.6173 -1 4 0 57.92 4.26 1.5922 5 3 3 57.96 2.23 1.5911 2 -4 5 58.12 1.25 1.5872 -3 -5 6 58.12 2.77 1.5871 -5 -2 2 58.37 3.08 1.5809 -1 0 5 58.39 3.48 1.5806 -4 -7 2 58.52 1.97 1.5771 6 4 0 58.61 3.54 1.5751 -2 -7 4 58.63 3.74 1.5746 3 4 3 58.63 1.92 1.5745 -3 1 2 58.69 1.33 1.5731 0 -6 4 58.89 3.39 1.5682 5 6 0 59.08 1.15 1.5635 -3 -7 5 59.15 2.44 1.5619 3 3 4 59.18 4.66 1.5613 -5 -6 4 59.46 1.48 1.5546 1 -5 2 59.60 1.68 1.5512 -3 -4 6 59.63 2.81 1.5506 2 0 6 59.76 1.15 1.5474 6 3 1 59.81 1.39 1.5463 5 0 3 59.82 1.62 1.5461 -4 -1 3 59.88 1.95 1.5447 -1 -6 1 60.47 2.03 1.5309 0 -3 7 60.83 1.61 1.5227 5 1 4 60.96 1.03 1.5198 2 4 3 61.24 1.67 1.5135 -1 -5 7 61.26 1.46 1.5131 1 -3 7 61.47 1.15 1.5085 4 -2 2 61.78 5.17 1.5017 -6 -4 2 62.13 2.22 1.4940 -6 -6 1 62.15 1.40 1.4937 2 2 5 62.32 1.40 1.4898 5 5 2 62.86 2.43 1.4784 -3 -7 1 62.94 1.43 1.4768 6 2 2 63.24 1.10 1.4704 5 0 0 63.37 1.12 1.4677 0 -2 7 63.46 1.70 1.4658 6 4 2 63.47 1.34 1.4657 6 2 0 63.61 5.11 1.4629 0 4 2 63.99 2.78 1.4549 4 2 5 64.32 1.32 1.4482 -4 1 1 64.46 1.29 1.4455 4 -2 1 64.52 1.04 1.4442 -1 -6 7 65.54 1.37 1.4244 -5 -1 2 66.04 1.10 1.4147 -6 -7 2 66.13 1.18 1.4130 5 -1 2 67.45 1.04 1.3886 -6 -7 1 67.53 1.37 1.3871 5 0 5 67.53 3.01 1.3871 0 -6 7 67.57 1.13 1.3864 -4 -4 6 68.19 1.95 1.3752 -1 -7 2 68.24 1.03 1.3744 0 5 1 68.50 1.29 1.3698 3 4 4 68.59 2.70 1.3682 -5 -4 5 68.88 1.09 1.3632 3 -2 7 69.10 1.27 1.3593 4 1 6 69.59 1.29 1.3509 -3 -4 7 69.83 1.71 1.3469 0 -7 5 69.87 1.88 1.3463 4 6 2 69.96 1.99 1.3447 -4 -2 5 70.21 1.11 1.3405 3 -4 2 70.27 2.15 1.3396 -3 2 2 70.45 1.08 1.3366 2 -5 2 71.28 1.22 1.3230 1 -4 8 71.33 2.15 1.3222 0 2 5 71.75 1.23 1.3155 6 3 4 71.88 2.01 1.3135 4 -3 2 71.94 2.64 1.3126 -4 -6 7 72.25 2.45 1.3076 1 0 7 72.53 2.44 1.3033 -2 -6 8 72.57 1.38 1.3027 6 0 3 73.13 1.49 1.2941 1 -6 7 73.29 1.67 1.2916 5 7 1 73.31 1.57 1.2913 -6 -6 5 73.33 1.60 1.2911 -2 -2 7 73.72 1.56 1.2852 5 -2 3 73.76 1.39 1.2846 2 -3 8 74.52 1.69 1.2733 0 6 0 74.64 1.01 1.2716 -3 -3 7 74.81 1.60 1.2691 -3 3 1 75.59 3.45 1.2579 3 -4 7 75.91 1.77 1.2534 5 -2 5 76.14 1.17 1.2502 6 1 5 76.30 1.70 1.2480 2 6 2 77.29 1.25 1.2344 -3 0 5 78.05 1.13 1.2244 3 -2 8 78.42 1.70 1.2194 -6 -2 3 78.92 1.22 1.2131 4 6 3 79.52 2.19 1.2054 4 -4 5 80.15 2.08 1.1975 5 4 5 81.41 2.09 1.1821 6 6 3 82.13 1.00 1.1736 5 0 7 82.82 2.09 1.1655 -1 0 7 83.09 1.28 1.1624 2 4 5 83.35 1.15 1.1595 -1 4 3 83.46 1.50 1.1582 3 0 8 85.13 1.15 1.1397 -1 6 0 86.49 1.46 1.1252 2 2 7 89.12 1.78 1.0987 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.