Phoenicochroite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050164 Williams S A, McLean W J, Anthony J W American Mineralogist 55 (1970) 784-792 A study of phoenicochroite - its structure and properties CELL PARAMETERS: 13.9730 5.6630 7.1180 90.000 115.260 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.47940 0.00000 0.23280 1.000 0.820 Pb 0.35690 0.50000 0.38700 1.000 0.940 Cr 0.16930 0.00000 0.15930 1.000 0.970 O 0.09300 0.00000 0.89840 1.000 2.800 O 0.29890 0.00000 0.20050 1.000 1.400 O 0.14480 0.23450 0.26620 1.000 2.600 O 0.50000 0.24130 0.50000 1.000 2.000 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 5 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 196.6642140 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.74 / 13.78 13.62 / 6.81 6.4374 0 0 1 14.00 / 14.04 18.33 / 9.17 6.3185 2 0 0 14.86 / 14.90 11.14 / 5.57 5.9552 -2 0 1 17.14 / 17.19 2.10 / 1.05 5.1678 1 1 0 20.05 / 20.10 14.25 / 7.12 4.4244 -1 1 1 23.55 / 23.61 8.46 / 4.23 3.7753 2 0 1 23.87 / 23.93 3.44 / 1.72 3.7250 1 1 1 25.20 / 25.26 5.16 / 2.58 3.5312 -3 1 1 26.35 / 26.41 100.00 / 50.00 3.3798 3 1 0 27.69 / 27.76 11.74 / 5.87 3.2187 0 0 2 29.98 / 30.06 19.02 / 9.51 2.9776 -4 0 2 30.01 / 30.09 70.50 / 35.25 2.9750 -1 1 2 31.10 / 31.18 22.76 / 11.38 2.8734 -3 1 2 31.57 / 31.65 35.22 / 17.61 2.8315 0 2 0 33.89 / 33.97 2.50 / 1.25 2.6431 3 1 1 34.58 / 34.67 1.23 / 0.61 2.5919 0 2 1 34.69 / 34.78 3.17 / 1.59 2.5839 2 2 0 35.06 / 35.15 4.71 / 2.35 2.5572 -2 2 1 35.82 / 35.91 12.85 / 6.43 2.5046 -5 1 1 36.30 / 36.39 15.08 / 7.54 2.4728 2 0 2 36.61 / 36.71 5.42 / 2.71 2.4523 4 0 1 38.07 / 38.17 4.92 / 2.46 2.3617 -2 0 3 38.87 / 38.97 2.18 / 1.09 2.3149 -6 0 1 38.99 / 39.09 8.52 / 4.26 2.3080 5 1 0 39.76 / 39.86 11.05 / 5.53 2.2652 2 2 1 39.88 / 39.99 10.55 / 5.28 2.2584 -6 0 2 41.04 / 41.15 1.38 / 0.69 2.1975 -4 2 1 41.37 / 41.48 3.77 / 1.88 2.1806 -3 1 3 42.49 / 42.60 5.34 / 2.67 2.1260 0 2 2 42.90 / 43.02 9.14 / 4.57 2.1062 6 0 0 44.10 / 44.21 21.04 / 10.52 2.0519 -4 2 2 45.66 / 45.78 4.35 / 2.18 1.9851 -6 0 3 46.66 / 46.78 4.43 / 2.21 1.9451 5 1 1 48.66 / 48.79 7.88 / 3.94 1.8696 1 1 3 48.80 / 48.93 5.05 / 2.52 1.8645 -7 1 2 48.86 / 48.99 16.89 / 8.45 1.8625 2 2 2 49.11 / 49.24 4.47 / 2.24 1.8537 4 2 1 49.96 / 50.09 1.76 / 0.88 1.8241 -1 3 1 50.26 / 50.40 1.66 / 0.83 1.8137 -2 2 3 51.53 / 51.67 6.14 / 3.07 1.7721 -4 0 4 51.73 / 51.87 9.49 / 4.74 1.7656 -6 2 2 52.29 / 52.43 3.64 / 1.82 1.7482 -2 0 4 53.12 / 53.27 12.69 / 6.35 1.7226 3 3 0 53.46 / 53.60 4.09 / 2.04 1.7125 -8 0 1 54.23 / 54.38 5.99 / 2.99 1.6899 6 2 0 55.26 / 55.41 12.18 / 6.09 1.6610 -1 3 2 55.39 / 55.54 2.80 / 1.40 1.6575 -5 1 4 55.93 / 56.08 4.14 / 2.07 1.6427 -3 3 2 56.58 / 56.73 3.85 / 1.92 1.6254 -6 2 3 56.83 / 56.98 7.14 / 3.57 1.6189 -1 1 4 57.44 / 57.60 7.58 / 3.79 1.6030 5 1 2 58.24 / 58.40 1.43 / 0.72 1.5828 3 1 3 58.37 / 58.53 1.29 / 0.65 1.5796 8 0 0 59.02 / 59.18 3.16 / 1.58 1.5639 -5 3 1 60.71 / 60.87 8.54 / 4.27 1.5243 -7 1 4 61.11 / 61.28 6.56 / 3.28 1.5152 7 1 1 61.24 / 61.40 1.93 / 0.97 1.5124 5 3 0 61.70 / 61.87 7.58 / 3.79 1.5022 -4 2 4 61.71 / 61.88 2.31 / 1.15 1.5020 4 0 3 61.92 / 62.10 5.01 / 2.51 1.4972 -9 1 2 62.37 / 62.55 3.36 / 1.68 1.4875 -2 2 4 63.41 / 63.59 4.42 / 2.21 1.4657 1 1 4 63.43 / 63.60 5.06 / 2.53 1.4654 -8 2 1 63.93 / 64.11 3.44 / 1.72 1.4551 -9 1 3 65.92 / 66.11 4.85 / 2.43 1.4158 0 4 0 67.03 / 67.21 1.56 / 0.78 1.3951 5 3 1 67.89 / 68.08 1.02 / 0.51 1.3795 8 2 0 68.62 / 68.82 2.40 / 1.20 1.3665 1 3 3 68.74 / 68.93 1.77 / 0.89 1.3645 -7 3 2 68.83 / 69.03 1.02 / 0.51 1.3628 9 1 0 70.98 / 71.18 2.12 / 1.06 1.3269 4 2 3 71.41 / 71.62 1.68 / 0.84 1.3198 -7 1 5 72.74 / 72.95 1.94 / 0.97 1.2990 -10 0 4 72.94 / 73.15 1.13 / 0.56 1.2959 0 4 2 73.49 / 73.71 1.12 / 0.56 1.2875 0 0 5 74.09 / 74.31 2.69 / 1.34 1.2786 -4 4 2 74.22 / 74.43 1.05 / 0.52 1.2767 -5 3 4 75.45 / 75.67 2.79 / 1.39 1.2588 -1 3 4 75.48 / 75.70 1.27 / 0.63 1.2584 6 0 3 75.99 / 76.21 3.05 / 1.53 1.2513 5 3 2 77.07 / 77.30 1.18 / 0.59 1.2364 4 0 4 77.47 / 77.70 1.35 / 0.67 1.2310 -11 1 3 77.65 / 77.88 3.20 / 1.60 1.2286 2 4 2 77.84 / 78.07 1.04 / 0.52 1.2261 4 4 1 78.86 / 79.09 3.76 / 1.88 1.2128 -7 3 4 79.22 / 79.45 2.81 / 1.41 1.2082 7 3 1 79.90 / 80.14 2.29 / 1.15 1.1995 -6 4 2 79.94 / 80.18 2.21 / 1.10 1.1990 -9 3 2 80.09 / 80.33 3.26 / 1.63 1.1973 -11 1 1 81.28 / 81.53 2.05 / 1.03 1.1827 1 3 4 81.45 / 81.69 2.83 / 1.42 1.1807 -10 2 4 81.75 / 82.00 1.61 / 0.81 1.1771 -9 3 3 81.93 / 82.17 2.15 / 1.07 1.1750 6 4 0 82.18 / 82.43 2.01 / 1.00 1.1720 0 2 5 83.87 / 84.12 1.24 / 0.62 1.1526 -6 4 3 84.04 / 84.30 1.60 / 0.80 1.1507 10 0 1 84.11 / 84.36 1.47 / 0.74 1.1500 6 2 3 85.43 / 85.69 1.31 / 0.66 1.1355 7 1 3 85.66 / 85.92 1.77 / 0.89 1.1331 4 2 4 88.28 / 88.55 2.36 / 1.18 1.1061 -4 4 4 88.87 / 89.15 1.42 / 0.71 1.1002 -2 4 4 89.54 / 89.82 2.73 / 1.36 1.0938 3 5 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.