Carminite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R061061 Finney J J American Mineralogist 48 (1963) 1-13 The crystal structure of carminite CELL PARAMETERS: 16.6400 7.6400 12.3000 90.000 90.000 90.000 SPACE GROUP: Cccm ATOM X Y Z OCCUPANCY ISO(B) Pb 0.00000 0.00000 0.25000 1.000 0.710 Pb 0.25000 0.75000 0.00000 1.000 0.360 As 0.04270 0.74030 0.00000 1.000 1.680 As 0.21110 0.00000 0.25000 1.000 0.700 Fe 0.37780 0.13090 0.13600 1.000 0.400 O 0.01820 0.24040 0.11530 1.000 0.920 O 0.09490 0.53170 0.00000 1.000 2.240 O 0.11360 -0.10550 0.00000 1.000 1.000 O 0.15250 0.17410 0.24110 1.000 0.790 O 0.27210 -0.01290 0.14500 1.000 0.580 OH 0.16560 0.25890 0.00000 1.000 1.000 OH 0.43030 0.00000 0.25000 1.000 0.900 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 15 +/- 7 +/- 11 MAX. ABS. INTENSITY / VOLUME**2: 56.93672473 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.75 7.02 6.9431 1 1 0 14.65 33.60 6.0463 1 1 1 17.94 5.53 4.9456 2 0 2 19.28 45.16 4.6037 1 1 2 19.78 14.89 4.4885 3 1 0 21.07 22.73 4.2165 3 1 1 21.36 16.74 4.1600 4 0 0 24.55 4.18 3.6256 3 1 2 25.23 55.49 3.5304 1 1 3 25.66 1.03 3.4716 2 2 0 26.68 11.45 3.3410 2 2 1 27.49 100.00 3.2450 0 2 2 29.04 25.70 3.0750 0 0 4 29.27 34.10 3.0511 5 1 0 29.51 1.06 3.0272 3 1 3 30.18 54.04 2.9613 5 1 1 31.83 27.84 2.8116 1 1 4 32.77 33.02 2.7332 5 1 2 33.83 6.50 2.6494 2 2 3 35.07 77.19 2.5586 4 2 2 35.38 1.22 2.5368 3 1 4 35.51 16.54 2.5282 6 0 2 35.67 7.63 2.5174 1 3 0 36.33 28.47 2.4728 4 0 4 36.43 10.30 2.4662 1 3 1 36.72 14.05 2.4477 5 1 3 38.65 5.75 2.3297 1 3 2 38.84 11.55 2.3188 1 1 5 39.13 15.21 2.3019 2 2 4 40.18 2.58 2.2442 6 2 0 40.87 5.15 2.2078 6 2 1 41.70 1.69 2.1661 3 3 2 41.70 9.79 2.1659 5 1 4 42.12 1.86 2.1453 1 3 3 43.51 8.65 2.0800 8 0 0 44.81 2.25 2.0225 5 3 0 44.98 5.43 2.0154 3 3 3 45.45 7.81 1.9957 5 3 1 45.57 2.10 1.9905 2 0 6 45.69 3.77 1.9858 7 1 3 46.11 2.29 1.9686 6 2 3 46.17 7.81 1.9661 1 1 6 47.31 7.06 1.9212 5 3 2 47.48 10.69 1.9151 5 1 5 47.61 7.73 1.9100 0 4 0 49.28 5.68 1.8492 3 3 4 49.94 2.16 1.8262 7 1 4 50.31 15.82 1.8138 5 3 3 50.34 9.59 1.8128 6 2 4 50.53 14.24 1.8063 0 2 6 51.28 2.05 1.7817 2 4 2 51.39 2.53 1.7781 9 1 1 51.97 1.64 1.7594 1 3 5 52.24 3.51 1.7511 8 2 2 52.74 23.42 1.7358 4 4 0 53.09 4.65 1.7249 9 1 2 53.24 1.58 1.7206 7 3 1 53.82 1.15 1.7034 1 1 7 53.88 6.39 1.7016 5 1 6 54.29 17.24 1.6897 5 3 4 54.43 1.71 1.6856 3 3 5 55.05 1.15 1.6682 7 1 5 55.46 14.54 1.6569 4 2 6 55.76 5.75 1.6485 6 0 6 55.86 8.37 1.6459 9 1 3 56.22 2.32 1.6362 3 1 7 56.74 16.96 1.6225 0 4 4 57.36 7.38 1.6062 10 0 2 58.91 2.36 1.5678 2 2 7 59.14 7.89 1.5623 5 3 5 59.59 10.18 1.5515 9 1 4 60.19 11.98 1.5375 0 0 8 60.71 8.67 1.5255 10 2 0 60.78 4.39 1.5240 6 4 2 60.83 7.20 1.5227 5 1 7 60.88 1.34 1.5216 1 5 0 61.33 2.81 1.5116 4 4 4 61.40 3.93 1.5101 1 5 1 62.03 3.18 1.4962 9 3 0 62.54 3.64 1.4852 9 3 1 62.60 1.08 1.4839 11 1 0 62.92 3.39 1.4771 1 5 2 63.11 2.47 1.4732 11 1 1 64.05 5.80 1.4538 9 3 2 64.18 4.28 1.4511 9 1 5 64.63 1.88 1.4422 4 0 8 64.69 2.55 1.4409 1 3 7 64.75 4.80 1.4397 5 3 6 66.53 1.96 1.4055 9 3 3 67.57 1.10 1.3864 3 5 3 67.73 1.76 1.3835 6 2 7 67.93 1.95 1.3799 5 5 1 68.03 1.73 1.3781 2 4 6 68.32 5.09 1.3730 5 1 8 68.68 13.59 1.3666 10 2 4 68.84 1.37 1.3638 8 2 6 69.38 2.52 1.3545 5 5 2 69.57 3.80 1.3513 9 1 6 69.92 1.40 1.3454 9 3 4 71.07 1.56 1.3264 5 3 7 71.77 4.71 1.3152 5 5 3 71.96 1.93 1.3121 1 3 8 73.27 3.46 1.2920 10 0 6 74.11 3.42 1.2793 8 4 4 74.18 1.24 1.2784 7 5 1 74.18 1.82 1.2783 9 3 5 74.86 1.62 1.2684 6 2 8 75.06 4.46 1.2656 5 5 4 75.16 1.56 1.2641 12 0 4 76.30 2.73 1.2480 6 4 6 76.35 2.45 1.2473 5 1 9 76.38 5.89 1.2469 0 6 2 76.90 1.31 1.2397 11 3 3 77.15 2.33 1.2364 8 0 8 77.67 7.49 1.2293 10 4 2 78.08 1.08 1.2240 5 3 8 78.24 1.28 1.2218 1 5 6 79.21 2.81 1.2093 5 5 5 79.27 2.33 1.2085 9 3 6 80.13 2.78 1.1977 0 4 8 80.40 4.15 1.1944 4 6 2 81.77 1.16 1.1778 9 5 0 82.22 1.64 1.1725 9 5 1 82.36 4.14 1.1708 0 2 10 82.69 4.06 1.1670 14 0 2 82.88 1.09 1.1649 2 6 4 83.58 1.40 1.1568 9 5 2 84.11 8.94 1.1509 4 4 8 84.17 1.84 1.1503 1 5 7 84.22 2.24 1.1497 5 5 6 85.03 2.19 1.1408 5 1 10 85.18 1.79 1.1392 9 3 7 85.57 3.16 1.1349 14 2 0 85.69 1.34 1.1337 11 1 7 85.81 1.45 1.1324 5 3 9 86.32 5.50 1.1270 4 2 10 86.79 1.14 1.1221 12 4 0 88.59 1.68 1.1040 1 1 11 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.