Crocoite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040053 Quareni S, De Pieri R Acta Crystallographica 19 (1965) 287-289 A three-dimensional refinement of the structure of crocoite, PbCrO4 CELL PARAMETERS: 7.1217 7.4325 6.7958 90.000 102.428 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: 117.9782983 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.36 10.82 5.4190 -1 0 1 17.46 6.69 5.0783 1 1 0 17.92 28.03 4.9503 0 1 1 20.28 29.73 4.3787 -1 1 1 20.39 12.52 4.3559 1 0 1 23.68 12.72 3.7581 1 1 1 23.95 7.31 3.7162 0 2 0 25.62 57.61 3.4774 2 0 0 26.87 3.58 3.3183 0 0 2 27.21 100.00 3.2777 1 2 0 27.51 6.83 3.2425 0 2 1 28.34 11.75 3.1497 2 1 0 28.91 7.10 3.0882 -2 1 1 29.48 60.57 3.0300 0 1 2 29.76 28.03 3.0023 -1 1 2 33.06 16.31 2.7095 -2 0 2 33.80 1.79 2.6523 2 1 1 34.53 14.70 2.5972 1 1 2 35.26 18.65 2.5456 -2 1 2 35.35 2.61 2.5391 2 2 0 35.82 1.69 2.5066 -2 2 1 36.53 4.26 2.4600 -1 2 2 38.27 2.04 2.3518 -3 0 1 38.80 13.10 2.3210 0 3 1 39.96 13.89 2.2561 2 2 1 40.02 1.34 2.2532 -1 3 1 40.02 12.21 2.2528 -1 0 3 40.22 11.25 2.2423 -3 1 1 40.77 2.66 2.2131 3 1 0 41.95 3.26 2.1535 1 3 1 43.29 24.87 2.0901 2 1 2 44.06 4.85 2.0552 3 0 1 44.29 3.90 2.0454 -3 1 2 44.92 1.12 2.0178 2 3 0 45.31 8.85 2.0013 -2 3 1 45.63 3.61 1.9881 1 0 3 45.70 1.74 1.9852 0 3 2 45.81 1.60 1.9809 3 1 1 45.89 21.69 1.9773 -1 3 2 46.15 14.67 1.9669 3 2 0 47.85 9.20 1.9009 0 2 3 48.78 2.99 1.8667 2 3 1 49.02 6.73 1.8581 0 4 0 49.33 17.84 1.8472 1 3 2 49.36 13.52 1.8463 -3 2 2 49.88 2.33 1.8284 -2 3 2 50.26 5.58 1.8152 -2 2 3 50.53 3.32 1.8063 -3 0 3 50.86 5.45 1.7952 1 4 0 52.03 1.36 1.7577 -1 4 1 52.64 3.56 1.7387 4 0 0 52.94 1.98 1.7296 -4 1 1 53.62 2.36 1.7091 1 4 1 53.74 1.54 1.7057 -3 3 1 54.02 6.30 1.6976 -4 0 2 54.18 4.90 1.6930 4 1 0 54.18 3.26 1.6928 3 3 0 54.35 4.37 1.6880 3 1 2 55.38 3.99 1.6591 0 0 4 55.50 1.59 1.6558 -1 1 4 55.53 1.71 1.6550 -4 1 2 56.04 2.05 1.6410 -2 0 4 56.12 5.74 1.6388 2 4 0 56.24 1.26 1.6358 2 3 2 56.86 1.71 1.6193 0 1 4 57.06 5.52 1.6141 -3 3 2 57.52 4.27 1.6024 -2 1 4 59.59 2.97 1.5516 2 2 3 59.87 5.31 1.5448 -1 2 4 60.41 2.29 1.5324 -2 4 2 62.71 2.19 1.4816 -3 1 4 63.29 2.71 1.4693 4 2 1 64.24 1.67 1.4499 3 4 0 64.50 2.49 1.4447 -4 3 1 65.06 1.82 1.4335 -1 5 1 65.07 2.55 1.4334 -1 4 3 65.59 7.06 1.4233 1 2 4 65.74 2.07 1.4204 -4 2 3 65.75 5.59 1.4203 3 3 2 65.78 1.10 1.4196 4 0 2 66.46 1.37 1.4068 1 5 1 66.78 3.05 1.4009 -1 3 4 66.80 1.59 1.4005 -3 2 4 66.85 1.37 1.3995 -3 4 2 66.89 1.60 1.3989 -5 1 1 67.13 2.61 1.3944 4 1 2 67.59 3.62 1.3860 2 0 4 68.02 1.55 1.3783 3 4 1 68.65 1.87 1.3672 5 1 0 68.67 1.34 1.3669 2 5 0 69.21 1.22 1.3575 1 4 3 69.26 5.54 1.3566 0 5 2 70.45 1.43 1.3366 -1 1 5 70.68 3.80 1.3328 -4 1 4 72.35 1.19 1.3061 5 0 1 72.39 4.32 1.3054 -5 2 2 72.53 3.02 1.3033 -2 5 2 72.57 1.68 1.3027 5 2 0 73.06 1.59 1.2952 -3 4 3 73.36 4.52 1.2906 -3 3 4 74.78 1.40 1.2696 4 4 0 75.69 1.75 1.2565 -3 5 1 75.92 1.57 1.2533 -4 4 2 76.97 1.35 1.2387 0 6 0 77.06 2.15 1.2376 0 4 4 77.07 1.38 1.2375 1 1 5 77.62 1.15 1.2300 -2 4 4 77.79 3.94 1.2278 2 5 2 78.42 1.24 1.2196 1 6 0 78.93 2.78 1.2129 5 3 0 81.14 1.16 1.1853 -5 1 4 81.93 1.69 1.1759 -6 0 2 82.65 2.51 1.1675 3 2 4 82.70 2.02 1.1669 2 6 0 84.62 1.81 1.1453 6 1 0 85.37 1.19 1.1371 5 2 2 86.05 1.42 1.1299 4 5 0 86.38 1.39 1.1264 -2 0 6 87.46 1.07 1.1152 -5 4 2 87.88 1.90 1.1110 2 4 4 88.82 1.34 1.1017 -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.