Cotunnite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R060655 Wyckoff R W G Crystal Structures 1 (1963) 298-306 Second edition. Interscience Publishers, New York, New York CELL PARAMETERS: 9.0390 7.6190 4.5298 90.000 90.000 90.000 SPACE GROUP: Pbnm ATOM X Y Z OCCUPANCY ISO(B) Pb 0.09560 0.26170 0.25000 1.000 1.500 Cl 0.07420 0.86100 0.25000 1.000 1.000 Cl 0.83700 0.47680 0.25000 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 6 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 138.3906843 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.64 13.38 4.5195 2 0 0 21.95 32.41 4.0497 1 0 1 22.88 76.48 3.8871 2 1 0 23.35 41.35 3.8095 0 2 0 24.90 100.00 3.5760 1 1 1 25.37 1.37 3.5105 1 2 0 30.30 4.14 2.9499 2 1 1 30.66 8.28 2.9155 0 2 1 30.69 12.03 2.9128 2 2 0 31.94 2.39 2.8019 3 1 0 32.26 52.38 2.7748 1 2 1 35.79 48.47 2.5087 3 0 1 36.68 1.23 2.4500 2 2 1 37.75 4.93 2.3829 3 1 1 38.08 2.98 2.3632 3 2 0 39.80 24.90 2.2649 0 0 2 39.89 10.80 2.2597 4 0 0 40.75 27.90 2.2140 2 3 0 41.69 7.69 2.1665 4 1 0 41.99 33.30 2.1516 1 3 1 43.18 43.25 2.0952 3 2 1 44.76 2.83 2.0249 2 0 2 45.61 1.78 1.9892 2 3 1 46.40 22.24 1.9569 2 1 2 46.66 12.41 1.9468 0 2 2 46.74 7.01 1.9435 4 2 0 47.75 6.89 1.9047 0 4 0 48.87 1.03 1.8638 1 4 0 51.08 4.98 1.7880 2 2 2 53.14 2.78 1.7236 1 4 1 54.34 4.67 1.6882 4 3 0 54.66 1.63 1.6790 5 0 1 56.09 14.52 1.6397 5 1 1 56.26 1.58 1.6352 3 2 2 57.22 1.00 1.6100 3 4 0 57.62 6.41 1.5997 4 0 2 58.28 17.09 1.5832 2 3 2 59.00 5.01 1.5656 4 1 2 61.08 8.09 1.5170 3 4 1 61.56 2.59 1.5065 6 0 0 61.74 1.08 1.5026 1 5 0 62.35 1.57 1.4893 1 0 3 62.88 1.43 1.4779 6 1 0 63.02 5.13 1.4749 4 2 2 63.66 6.14 1.4616 1 1 3 63.85 5.11 1.4578 0 4 2 63.92 3.16 1.4564 4 4 0 64.54 4.47 1.4439 2 5 0 65.44 9.77 1.4262 1 5 1 66.77 5.59 1.4009 6 2 0 66.79 10.84 1.4006 5 3 1 67.53 4.69 1.3871 1 2 3 69.44 3.95 1.3536 4 3 2 69.65 5.34 1.3499 3 0 3 73.75 4.93 1.2847 1 3 3 74.58 6.72 1.2724 3 2 3 75.21 2.42 1.2634 4 5 0 75.84 2.49 1.2544 6 0 2 76.01 1.05 1.2521 1 5 2 76.75 3.16 1.2418 7 0 1 77.05 1.40 1.2377 6 1 2 78.00 3.17 1.2250 4 4 2 78.57 4.53 1.2176 2 5 2 79.03 1.75 1.2117 1 6 1 80.64 5.88 1.1914 6 2 2 81.53 2.79 1.1807 7 2 1 84.58 3.55 1.1457 5 1 3 85.76 2.79 1.1330 3 6 1 85.81 1.89 1.1324 0 0 4 86.19 4.12 1.1284 5 5 1 87.22 1.83 1.1177 8 1 0 87.42 1.46 1.1156 7 3 1 88.22 1.01 1.1076 0 6 2 88.65 2.94 1.1033 4 5 2 88.85 2.30 1.1014 3 4 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.