Phoenicochroite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050587 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: 14.0040 5.6620 7.1350 90.000 115.280 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: 195.6295261 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.71 / 13.75 13.64 / 6.82 6.4517 0 0 1 13.98 / 14.01 18.36 / 9.18 6.3314 2 0 0 14.83 / 14.86 11.17 / 5.58 5.9696 -2 0 1 17.14 / 17.18 2.09 / 1.05 5.1688 1 1 0 20.04 / 20.09 14.23 / 7.11 4.4281 -1 1 1 23.50 / 23.56 8.48 / 4.24 3.7829 2 0 1 23.84 / 23.90 3.44 / 1.72 3.7292 1 1 1 25.16 / 25.23 5.16 / 2.58 3.5359 -3 1 1 26.31 / 26.38 100.00 / 50.00 3.3841 3 1 0 27.63 / 27.70 11.77 / 5.88 3.2258 0 0 2 29.91 / 29.99 19.07 / 9.54 2.9848 -4 0 2 29.96 / 30.04 70.59 / 35.29 2.9799 -1 1 2 31.04 / 31.12 22.79 / 11.39 2.8785 -3 1 2 31.58 / 31.66 35.09 / 17.55 2.8310 0 2 0 33.83 / 33.92 2.51 / 1.25 2.6471 3 1 1 34.57 / 34.66 1.22 / 0.61 2.5924 0 2 1 34.68 / 34.77 3.16 / 1.58 2.5844 2 2 0 35.05 / 35.14 4.69 / 2.35 2.5579 -2 2 1 35.76 / 35.85 12.87 / 6.44 2.5090 -5 1 1 36.22 / 36.31 15.12 / 7.56 2.4779 2 0 2 36.54 / 36.63 5.43 / 2.71 2.4572 4 0 1 37.98 / 38.08 4.94 / 2.47 2.3673 -2 0 3 38.78 / 38.88 2.19 / 1.09 2.3199 -6 0 1 38.92 / 39.03 8.54 / 4.27 2.3118 5 1 0 39.73 / 39.84 11.04 / 5.52 2.2666 2 2 1 39.79 / 39.89 10.59 / 5.30 2.2636 -6 0 2 41.01 / 41.11 1.38 / 0.69 2.1992 -4 2 1 41.28 / 41.39 3.78 / 1.89 2.1850 -3 1 3 42.45 / 42.56 5.34 / 2.67 2.1278 0 2 2 42.81 / 42.92 9.17 / 4.58 2.1105 6 0 0 44.05 / 44.16 21.04 / 10.52 2.0540 -4 2 2 45.55 / 45.67 4.37 / 2.19 1.9899 -6 0 3 46.57 / 46.70 4.44 / 2.22 1.9485 5 1 1 48.56 / 48.69 7.91 / 3.95 1.8731 1 1 3 48.70 / 48.83 5.06 / 2.53 1.8682 -7 1 2 48.80 / 48.93 16.90 / 8.45 1.8646 2 2 2 49.05 / 49.18 4.48 / 2.24 1.8557 4 2 1 49.96 / 50.09 1.75 / 0.88 1.8241 -1 3 1 50.19 / 50.33 1.66 / 0.83 1.8160 -2 2 3 51.40 / 51.53 6.17 / 3.08 1.7764 -4 0 4 51.66 / 51.80 9.50 / 4.75 1.7680 -6 2 2 52.16 / 52.30 3.66 / 1.83 1.7522 -2 0 4 53.11 / 53.25 12.66 / 6.33 1.7229 3 3 0 53.34 / 53.48 4.10 / 2.05 1.7162 -8 0 1 54.16 / 54.31 5.99 / 3.00 1.6920 6 2 0 55.23 / 55.38 12.16 / 6.08 1.6617 -1 3 2 55.25 / 55.40 2.81 / 1.41 1.6611 -5 1 4 55.90 / 56.05 4.13 / 2.07 1.6435 -3 3 2 56.48 / 56.63 3.86 / 1.93 1.6280 -6 2 3 56.70 / 56.85 7.18 / 3.59 1.6222 -1 1 4 57.32 / 57.48 7.61 / 3.80 1.6059 5 1 2 58.12 / 58.28 1.44 / 0.72 1.5858 3 1 3 58.24 / 58.40 1.30 / 0.65 1.5829 8 0 0 58.98 / 59.14 3.16 / 1.58 1.5648 -5 3 1 60.56 / 60.72 8.58 / 4.29 1.5277 -7 1 4 60.99 / 61.15 6.58 / 3.29 1.5180 7 1 1 61.19 / 61.36 1.93 / 0.97 1.5133 5 3 0 61.57 / 61.74 2.32 / 1.16 1.5051 4 0 3 61.58 / 61.75 7.61 / 3.80 1.5047 -4 2 4 61.78 / 61.95 5.03 / 2.52 1.5003 -9 1 2 62.26 / 62.43 3.37 / 1.68 1.4899 -2 2 4 63.27 / 63.44 4.44 / 2.22 1.4686 1 1 4 63.32 / 63.49 5.07 / 2.54 1.4676 -8 2 1 63.77 / 63.95 3.45 / 1.73 1.4582 -9 1 3 65.94 / 66.12 4.83 / 2.42 1.4155 0 4 0 66.96 / 67.15 1.56 / 0.78 1.3963 5 3 1 67.77 / 67.96 1.02 / 0.51 1.3816 8 2 0 68.55 / 68.75 2.40 / 1.20 1.3677 1 3 3 68.66 / 68.86 1.77 / 0.89 1.3658 -7 3 2 68.68 / 68.88 1.02 / 0.51 1.3655 9 1 0 70.85 / 71.05 2.12 / 1.06 1.3289 4 2 3 71.23 / 71.43 1.69 / 0.84 1.3228 -7 1 5 72.54 / 72.75 1.95 / 0.97 1.3020 -10 0 4 72.92 / 73.13 1.13 / 0.56 1.2962 0 4 2 73.31 / 73.52 1.12 / 0.56 1.2903 0 0 5 74.07 / 74.28 2.68 / 1.34 1.2790 -4 4 2 74.11 / 74.32 1.05 / 0.52 1.2783 -5 3 4 75.30 / 75.52 1.28 / 0.64 1.2610 6 0 3 75.35 / 75.57 2.79 / 1.39 1.2603 -1 3 4 75.89 / 76.11 3.05 / 1.53 1.2527 5 3 2 76.88 / 77.11 1.19 / 0.59 1.2390 4 0 4 77.27 / 77.50 1.35 / 0.68 1.2337 -11 1 3 77.61 / 77.84 3.20 / 1.60 1.2291 2 4 2 77.81 / 78.04 1.03 / 0.52 1.2265 4 4 1 78.73 / 78.96 3.77 / 1.88 1.2145 -7 3 4 79.11 / 79.35 2.82 / 1.41 1.2095 7 3 1 79.82 / 80.06 2.21 / 1.11 1.2005 -9 3 2 79.85 / 80.09 2.29 / 1.14 1.2002 -6 4 2 79.89 / 80.13 3.28 / 1.64 1.1997 -11 1 1 81.16 / 81.40 2.05 / 1.03 1.1841 1 3 4 81.26 / 81.50 2.84 / 1.42 1.1829 -10 2 4 81.62 / 81.86 1.62 / 0.81 1.1786 -9 3 3 81.88 / 82.12 2.15 / 1.07 1.1756 6 4 0 82.00 / 82.25 2.02 / 1.01 1.1741 0 2 5 83.80 / 84.05 1.24 / 0.62 1.1534 -6 4 3 83.84 / 84.09 1.60 / 0.80 1.1530 10 0 1 83.94 / 84.19 1.47 / 0.74 1.1519 6 2 3 85.22 / 85.49 1.32 / 0.66 1.1377 7 1 3 85.48 / 85.74 1.77 / 0.89 1.1350 4 2 4 88.18 / 88.46 2.36 / 1.18 1.1070 -4 4 4 88.78 / 89.06 1.42 / 0.71 1.1011 -2 4 4 89.54 / 89.82 2.72 / 1.36 1.0937 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.