Rosasite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100077 Perchiazzi N Zeitschrift fur Kristallographie Supplement 23 (2006) 505-510 Crystal structure determination and Rietveld refinement of rosasite and mcguinnessite Locality: Ojuela mine, Durango, Mexico AMCSD#0014508 CELL PARAMETERS: 12.8660 9.3160 3.1610 90.000 110.262 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Cu 0.21030 0.00070 0.44900 1.000 1.019 Zn 0.39450 0.23020 0.17300 0.800 1.287 Cu 0.39450 0.23020 0.17300 0.200 1.287 C 0.14140 0.27450 0.66540 1.000 0.869 O 0.13530 0.14200 0.76000 1.000 0.711 O 0.23120 0.34330 0.86300 1.000 1.105 O 0.05200 0.34470 0.47100 1.000 1.342 OH 0.35430 0.09460 0.64800 1.000 0.947 OH 0.41870 0.38500 -0.25600 1.000 3.869 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 8 +/- 2 MAX. ABS. INTENSITY / VOLUME**2: 23.79685901 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.00 4.06 7.3748 1 1 0 14.68 44.85 6.0349 2 0 0 17.51 62.28 5.0650 2 1 0 19.05 4.55 4.6580 0 2 0 24.09 18.95 3.6936 3 1 0 24.14 66.58 3.6874 2 2 0 29.33 1.73 3.0448 3 2 0 29.60 10.62 3.0175 4 0 0 29.71 12.83 3.0074 1 3 0 30.01 1.96 2.9781 -1 1 1 30.14 10.04 2.9654 0 0 1 30.17 28.30 2.9618 -2 1 1 31.16 9.18 2.8706 4 1 0 32.14 4.95 2.7846 -3 1 1 32.42 7.99 2.7612 2 3 0 34.28 11.73 2.6158 -4 0 1 34.42 2.29 2.6054 -1 2 1 34.57 100.00 2.5944 -2 2 1 34.92 3.53 2.5695 1 1 1 35.45 40.39 2.5325 4 2 0 35.90 37.09 2.5015 0 2 1 36.33 3.13 2.4728 -3 2 1 36.55 9.67 2.4583 3 3 0 38.17 16.31 2.3578 2 0 1 38.53 11.53 2.3368 5 1 0 38.66 9.60 2.3290 0 4 0 38.84 3.45 2.3185 1 2 1 40.34 2.56 2.2356 -5 1 1 40.85 1.15 2.2090 -1 3 1 40.98 8.94 2.2023 -2 3 1 41.56 6.06 2.1728 2 4 0 41.74 2.56 2.1641 4 3 0 42.13 17.21 2.1446 0 3 1 42.16 9.81 2.1433 5 2 0 43.00 1.88 2.1037 2 2 1 43.86 1.48 2.0643 -5 2 1 44.73 1.34 2.0259 1 3 1 44.84 2.47 2.0214 -6 0 1 44.87 7.49 2.0200 3 1 1 44.97 2.28 2.0156 3 4 0 45.07 3.68 2.0116 6 0 0 45.33 7.11 2.0006 -4 3 1 45.94 6.43 1.9755 -6 1 1 46.17 6.39 1.9663 6 1 0 47.72 5.72 1.9059 5 3 0 48.12 1.13 1.8910 3 2 1 48.48 1.11 1.8779 2 3 1 48.66 2.81 1.8712 -1 4 1 48.77 1.07 1.8672 -2 4 1 49.26 9.15 1.8497 -5 3 1 49.35 2.78 1.8468 6 2 0 49.78 1.43 1.8316 0 4 1 51.05 5.59 1.7889 4 1 1 51.32 6.87 1.7803 2 5 0 52.24 4.68 1.7511 -7 1 1 52.62 17.75 1.7395 -4 4 1 53.19 3.84 1.7220 3 3 1 54.09 5.16 1.6955 7 1 0 54.14 6.50 1.6941 -6 3 1 54.26 1.39 1.6907 3 5 0 54.34 1.19 1.6883 6 3 0 55.45 16.82 1.6569 2 4 1 56.17 1.57 1.6375 -5 4 1 57.85 7.31 1.5939 5 1 1 58.22 3.06 1.5847 -8 0 1 58.50 4.02 1.5776 0 5 1 58.73 3.85 1.5720 4 3 1 58.76 7.68 1.5715 -2 0 2 58.80 4.33 1.5704 -3 5 1 59.15 4.34 1.5619 -4 0 2 59.78 1.70 1.5469 3 4 1 59.82 6.82 1.5461 -7 3 1 60.06 9.35 1.5404 -4 1 2 60.58 5.65 1.5286 1 5 1 60.59 1.31 1.5282 5 2 1 60.66 1.90 1.5266 -6 4 1 61.06 1.77 1.5176 -4 5 1 61.51 5.33 1.5075 7 3 0 61.69 3.76 1.5037 2 6 0 61.84 2.37 1.5002 -8 2 1 61.86 1.27 1.4999 -5 1 2 62.35 2.65 1.4893 8 1 0 62.74 2.03 1.4809 -4 2 2 63.02 7.93 1.4750 5 5 0 63.54 1.88 1.4643 0 1 2 64.31 2.51 1.4485 -5 5 1 64.34 2.95 1.4480 6 0 1 64.97 2.82 1.4353 8 2 0 65.00 1.95 1.4348 5 3 1 66.14 4.63 1.4128 0 2 2 66.59 5.54 1.4043 -9 1 1 67.08 1.26 1.3954 -4 3 2 67.24 4.33 1.3923 -6 2 2 67.35 2.40 1.3904 -2 6 1 67.77 1.64 1.3827 6 2 1 67.89 5.20 1.3806 4 6 0 68.17 3.15 1.3755 0 6 1 68.42 1.93 1.3712 -7 1 2 68.49 2.21 1.3700 -6 5 1 69.23 1.73 1.3570 8 3 0 70.36 1.10 1.3380 0 3 2 71.01 1.07 1.3274 9 1 0 71.28 1.16 1.3231 2 1 2 71.29 1.82 1.3228 1 7 0 72.09 1.03 1.3102 -8 4 1 72.57 4.48 1.3027 -2 4 2 72.77 1.44 1.2996 2 7 0 73.05 1.92 1.2952 -8 1 2 73.12 2.35 1.2942 7 1 1 73.63 2.68 1.2866 1 3 2 73.75 1.69 1.2848 2 2 2 74.62 2.05 1.2719 -10 1 1 75.20 2.88 1.2635 3 7 0 76.46 1.71 1.2458 3 1 2 77.53 1.58 1.2312 9 3 0 77.65 1.60 1.2297 6 4 1 78.54 2.13 1.2180 -9 1 2 82.91 1.80 1.1645 0 8 0 83.29 1.10 1.1602 0 5 2 84.04 1.04 1.1517 8 2 1 84.84 1.15 1.1429 4 2 2 87.06 2.90 1.1193 3 7 1 87.21 1.03 1.1178 -10 2 2 87.76 1.97 1.1122 -7 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.