Crocoite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050044 Quareni S, De Pieri R Acta Crystallographica 19 (1965) 287-289 A three-dimensional refinement of the structure of crocoite, PbCrO4 CELL PARAMETERS: 7.1281 7.4375 6.7990 90.000 102.445 90.000 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) Pb 0.22180 0.14500 0.39740 1.000 1.500 Cr 0.20100 0.16510 0.88000 1.000 0.600 O 0.03540 0.09890 0.69440 1.000 1.000 O 0.12470 0.34610 0.98690 1.000 1.000 O 0.25340 0.49820 0.45400 1.000 1.000 O 0.38870 0.21730 0.78100 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 117.7348007 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.34 10.82 5.4233 -1 0 1 17.45 6.69 5.0821 1 1 0 17.91 28.01 4.9529 0 1 1 20.27 29.72 4.3820 -1 1 1 20.38 12.51 4.3580 1 0 1 23.66 12.71 3.7601 1 1 1 23.93 7.31 3.7188 0 2 0 25.60 57.62 3.4803 2 0 0 26.86 3.58 3.3196 0 0 2 27.19 100.00 3.2800 1 2 0 27.49 6.83 3.2445 0 2 1 28.31 11.75 3.1523 2 1 0 28.89 7.11 3.0909 -2 1 1 29.47 60.54 3.0314 0 1 2 29.74 28.02 3.0041 -1 1 2 33.03 16.32 2.7116 -2 0 2 33.77 1.79 2.6539 2 1 1 34.52 14.69 2.5984 1 1 2 35.23 18.66 2.5476 -2 1 2 35.32 2.61 2.5411 2 2 0 35.79 1.69 2.5086 -2 2 1 36.50 4.26 2.4615 -1 2 2 38.23 2.04 2.3540 -3 0 1 38.77 13.10 2.3225 0 3 1 39.93 13.89 2.2576 2 2 1 39.99 1.34 2.2547 -1 3 1 40.00 12.21 2.2540 -1 0 3 40.18 11.26 2.2443 -3 1 1 40.74 2.66 2.2149 3 1 0 41.92 3.26 2.1549 1 3 1 43.27 24.87 2.0911 2 1 2 44.03 4.85 2.0566 3 0 1 44.24 3.90 2.0471 -3 1 2 44.89 1.12 2.0192 2 3 0 45.28 8.86 2.0028 -2 3 1 45.61 3.61 1.9889 1 0 3 45.67 1.74 1.9864 0 3 2 45.77 1.60 1.9822 3 1 1 45.86 21.70 1.9786 -1 3 2 46.11 14.68 1.9685 3 2 0 47.83 9.20 1.9018 0 2 3 48.75 2.99 1.8679 2 3 1 48.99 6.73 1.8594 0 4 0 49.30 17.84 1.8482 1 3 2 49.31 13.54 1.8479 -3 2 2 49.84 2.33 1.8297 -2 3 2 50.23 5.59 1.8164 -2 2 3 50.48 3.33 1.8078 -3 0 3 50.83 5.45 1.7964 1 4 0 51.99 1.36 1.7589 -1 4 1 52.59 3.56 1.7402 4 0 0 52.89 1.98 1.7311 -4 1 1 53.59 2.36 1.7102 1 4 1 53.69 1.54 1.7071 -3 3 1 53.96 6.31 1.6991 -4 0 2 54.13 4.91 1.6944 4 1 0 54.14 3.27 1.6940 3 3 0 54.31 4.37 1.6890 3 1 2 55.35 3.99 1.6598 0 0 4 55.47 1.59 1.6566 -1 1 4 55.47 1.72 1.6565 -4 1 2 56.01 2.05 1.6419 -2 0 4 56.08 5.74 1.6400 2 4 0 56.20 1.26 1.6367 2 3 2 56.83 1.71 1.6200 0 1 4 57.01 5.53 1.6153 -3 3 2 57.48 4.27 1.6033 -2 1 4 59.55 2.97 1.5523 2 2 3 59.84 5.31 1.5456 -1 2 4 60.36 2.29 1.5335 -2 4 2 62.66 2.19 1.4827 -3 1 4 63.24 2.72 1.4704 4 2 1 64.19 1.67 1.4509 3 4 0 64.44 2.50 1.4459 -4 3 1 65.01 1.82 1.4345 -1 5 1 65.02 2.56 1.4343 -1 4 3 65.56 7.06 1.4239 1 2 4 65.68 2.07 1.4216 -4 2 3 65.71 5.60 1.4211 3 3 2 65.74 1.10 1.4205 4 0 2 66.41 1.37 1.4078 1 5 1 66.74 3.05 1.4016 -1 3 4 66.74 1.59 1.4015 -3 2 4 66.79 1.38 1.4006 -3 4 2 66.82 1.60 1.4001 -5 1 1 67.08 2.61 1.3953 4 1 2 67.56 3.62 1.3865 2 0 4 67.96 1.56 1.3793 3 4 1 68.58 1.87 1.3684 5 1 0 68.61 1.34 1.3678 2 5 0 69.16 1.22 1.3583 1 4 3 69.21 5.55 1.3575 0 5 2 70.41 1.43 1.3372 -1 1 5 70.62 3.81 1.3338 -4 1 4 72.29 1.19 1.3071 5 0 1 72.32 4.33 1.3066 -5 2 2 72.47 3.02 1.3042 -2 5 2 72.50 1.68 1.3038 5 2 0 72.99 1.59 1.2961 -3 4 3 73.30 4.52 1.2915 -3 3 4 74.71 1.40 1.2705 4 4 0 75.62 1.75 1.2575 -3 5 1 75.85 1.58 1.2543 -4 4 2 76.91 1.35 1.2396 0 6 0 77.01 2.15 1.2382 0 4 4 77.03 1.38 1.2380 1 1 5 77.57 1.15 1.2308 -2 4 4 77.73 3.94 1.2285 2 5 2 78.35 1.24 1.2204 1 6 0 78.86 2.79 1.2138 5 3 0 81.06 1.16 1.1863 -5 1 4 81.84 1.69 1.1770 -6 0 2 82.60 2.51 1.1680 3 2 4 82.63 2.02 1.1677 2 6 0 84.53 1.82 1.1462 6 1 0 85.30 1.19 1.1379 5 2 2 85.97 1.42 1.1307 4 5 0 86.32 1.39 1.1270 -2 0 6 87.37 1.07 1.1161 -5 4 2 87.83 1.90 1.1115 2 4 4 88.74 1.34 1.1024 -2 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.