Parsonsite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060154 Burns P C American Mineralogist 85 (2000) 801-805 A new uranyl phosphate chain in the structure of parsonsite CELL PARAMETERS: 6.8380 10.3860 6.6740 101.410 98.350 86.320 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) U 0.61640 0.84060 0.11260 1.000 1.826 Pb 0.30060 0.54150 0.26940 1.000 2.372 Pb 0.04510 0.77390 0.72040 1.000 2.655 P 0.53400 0.81870 0.63020 1.000 1.310 P 0.81400 0.54920 0.27800 1.000 1.540 O 0.98300 0.63600 0.40900 1.000 1.666 O 0.33500 0.48400 0.59700 1.000 1.911 O 0.36400 0.78500 0.07900 1.000 2.685 O 0.66500 0.72700 0.76200 1.000 1.848 O 0.70300 0.62500 0.11800 1.000 2.219 O 0.33600 0.75200 0.53600 1.000 2.779 O 0.50500 0.06000 0.20300 1.000 1.808 O 0.85500 0.89900 0.14100 1.000 2.961 O 0.64700 0.85400 0.46700 1.000 2.440 O 0.91500 0.42200 0.16800 1.000 2.298 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 9 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 71.04295682 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.69 17.93 10.1739 0 1 0 13.09 9.66 6.7610 1 0 0 13.66 5.30 6.4818 0 0 1 14.74 22.03 6.0114 0 -1 1 15.47 10.94 5.7284 1 1 0 17.43 9.01 5.0870 0 2 0 17.57 4.89 5.0473 0 1 1 17.63 12.75 5.0318 -1 0 1 18.25 8.17 4.8620 -1 -1 1 20.22 5.83 4.3912 1 0 1 21.02 69.47 4.2254 -1 1 1 21.17 100.00 4.1961 1 -1 1 21.47 40.18 4.1382 1 2 0 22.25 2.69 3.9953 -1 2 0 22.57 30.66 3.9395 -1 -2 1 22.89 17.68 3.8852 1 1 1 24.22 2.92 3.6754 0 2 1 25.36 1.07 3.5125 1 -2 1 26.28 61.33 3.3913 0 3 0 27.02 15.94 3.2997 -1 2 1 27.24 1.46 3.2741 0 -1 2 27.25 48.39 3.2724 0 -3 1 27.50 53.10 3.2437 2 1 0 27.52 27.73 3.2409 0 0 2 28.07 4.40 3.1791 -2 0 1 28.21 15.74 3.1629 1 2 1 28.32 49.10 3.1515 -2 -1 1 28.47 1.79 3.1352 -1 -1 2 28.89 19.38 3.0902 -1 0 2 29.02 5.51 3.0768 1 3 0 29.72 21.04 3.0057 0 -2 2 29.90 4.49 2.9879 -1 3 0 30.50 36.53 2.9304 0 1 2 30.51 3.97 2.9295 -2 1 1 30.72 22.47 2.9102 -1 -2 2 31.46 2.26 2.8436 2 0 1 31.90 3.26 2.8058 -1 1 2 32.04 10.83 2.7938 0 3 1 32.10 4.03 2.7886 1 -1 2 32.23 1.21 2.7770 2 -1 1 32.33 48.79 2.7692 -2 2 0 33.16 11.64 2.7017 2 1 1 34.38 5.87 2.6082 -1 3 1 34.39 10.50 2.6077 1 -2 2 34.43 9.01 2.6045 0 -3 2 34.70 6.03 2.5852 1 1 2 35.10 3.45 2.5566 1 3 1 35.19 4.01 2.5504 -1 -3 2 35.21 6.83 2.5488 -2 -1 2 35.29 1.31 2.5435 0 4 0 35.57 6.27 2.5237 0 2 2 35.69 6.67 2.5159 -2 0 2 36.85 1.27 2.4392 2 3 0 37.03 5.33 2.4279 2 2 1 37.31 1.47 2.4098 1 4 0 38.26 5.62 2.3524 -1 4 0 38.27 2.25 2.3516 -2 3 0 38.71 1.05 2.3259 1 -3 2 39.00 12.26 2.3092 1 -4 1 39.18 1.59 2.2994 1 2 2 40.01 13.83 2.2537 3 0 0 40.50 8.73 2.2275 0 4 1 40.56 7.61 2.2242 -3 0 1 40.69 1.32 2.2175 3 1 0 41.01 13.06 2.2006 0 -1 3 41.11 4.11 2.1956 2 0 2 41.13 7.00 2.1945 2 -1 2 41.25 4.03 2.1886 -1 -1 3 42.21 5.41 2.1412 0 -2 3 42.48 2.38 2.1282 -3 1 1 42.55 7.77 2.1248 -1 4 1 42.58 21.44 2.1231 -2 -4 1 42.80 4.37 2.1127 -2 2 2 42.93 3.87 2.1066 1 4 1 43.05 3.93 2.1009 2 1 2 43.12 8.03 2.0980 2 -2 2 43.31 2.23 2.0890 3 2 0 43.36 4.27 2.0870 -1 3 2 44.30 8.19 2.0445 3 0 1 44.50 1.51 2.0360 0 1 3 44.53 1.44 2.0348 0 5 0 44.57 15.86 2.0330 1 -4 2 44.99 1.23 2.0150 3 -1 1 45.15 2.32 2.0082 1 3 2 45.15 1.64 2.0081 1 -1 3 45.25 2.69 2.0038 0 -3 3 45.27 4.07 2.0032 -1 -3 3 45.33 2.99 2.0004 -3 -1 2 45.40 1.01 1.9977 -2 4 0 45.79 8.62 1.9817 1 0 3 45.80 1.74 1.9811 -2 -1 3 45.82 4.20 1.9803 -3 0 2 46.11 9.24 1.9684 1 5 0 46.18 1.01 1.9659 -3 2 1 46.68 1.68 1.9459 -3 -2 2 46.70 2.11 1.9452 -2 -2 3 46.73 8.86 1.9439 -2 0 3 46.76 6.97 1.9426 2 2 2 47.11 3.48 1.9291 -1 5 0 47.62 9.64 1.9095 3 3 0 48.04 1.47 1.8938 0 -5 2 48.10 2.96 1.8917 -3 1 2 48.43 12.07 1.8797 -1 -5 2 48.43 3.18 1.8795 3 2 1 48.70 11.53 1.8697 -2 3 2 48.84 3.77 1.8647 0 2 3 49.30 1.62 1.8485 1 -3 3 49.32 5.19 1.8477 2 4 1 49.33 7.11 1.8472 -1 2 3 49.34 6.92 1.8472 -2 -3 3 49.40 2.85 1.8450 -2 1 3 49.61 7.60 1.8377 0 4 2 49.74 8.81 1.8330 -3 -3 2 49.89 2.21 1.8278 0 -4 3 51.30 3.49 1.7809 -1 5 1 51.36 4.59 1.7788 -3 3 1 51.57 10.38 1.7722 3 -3 1 51.57 1.60 1.7722 1 -5 2 51.95 3.84 1.7602 2 3 2 51.99 2.28 1.7590 -3 2 2 52.07 2.40 1.7563 2 -4 2 52.61 1.93 1.7396 3 -1 2 53.16 8.42 1.7230 0 -6 1 53.32 1.83 1.7182 3 4 0 53.33 4.21 1.7180 2 0 3 53.40 6.39 1.7158 -2 5 0 53.53 3.96 1.7119 -2 -4 3 53.62 1.18 1.7093 -2 2 3 53.81 2.53 1.7036 -3 -1 3 54.01 4.21 1.6979 2 -5 1 54.04 1.65 1.6970 3 1 2 54.54 1.54 1.6824 0 3 3 55.38 3.14 1.6591 1 6 0 55.39 4.74 1.6588 -1 -1 4 55.41 1.19 1.6581 2 1 3 55.43 4.56 1.6576 -4 1 0 55.71 1.38 1.6500 0 -1 4 55.74 11.00 1.6492 -4 -2 1 55.83 4.92 1.6467 -4 1 1 55.84 2.06 1.6465 0 -5 3 56.43 1.39 1.6307 -1 6 0 56.58 1.67 1.6266 -1 0 4 56.75 3.86 1.6221 2 -3 3 57.03 5.25 1.6148 2 5 1 57.60 3.17 1.6002 1 3 3 57.74 1.06 1.5967 -1 -3 4 57.77 3.20 1.5959 -3 4 1 57.93 1.70 1.5918 0 5 2 58.25 1.29 1.5840 4 0 1 58.50 1.72 1.5778 2 -5 2 58.87 1.31 1.5688 0 6 1 58.90 2.02 1.5681 4 -1 1 58.92 2.14 1.5676 -2 -2 4 59.31 2.06 1.5582 -1 1 4 59.45 1.59 1.5548 0 1 4 59.55 1.02 1.5523 1 -1 4 60.10 2.20 1.5396 1 -2 4 60.14 1.44 1.5385 3 5 0 60.56 2.59 1.5289 -3 -4 3 61.17 1.69 1.5151 -1 -4 4 61.53 2.90 1.5071 4 2 1 61.72 3.40 1.5028 0 -4 4 62.14 2.58 1.4939 1 -3 4 62.30 1.36 1.4904 3 -4 2 62.65 1.64 1.4829 -1 -6 3 62.88 2.51 1.4780 0 -6 3 62.99 1.10 1.4757 1 1 4 63.44 1.17 1.4664 -1 2 4 63.51 1.82 1.4648 -4 2 2 64.34 1.25 1.4479 3 -2 3 64.42 3.88 1.4463 -4 -1 3 65.28 1.82 1.4293 -3 -2 4 65.33 1.93 1.4284 4 3 1 65.36 2.42 1.4277 3 1 3 65.64 1.47 1.4224 -2 6 1 65.77 1.44 1.4198 -3 -6 1 66.27 1.12 1.4104 -1 7 0 66.37 1.31 1.4084 2 -5 3 66.54 1.31 1.4052 2 -1 4 66.83 1.55 1.3999 1 2 4 66.93 2.50 1.3980 4 1 2 67.12 1.48 1.3946 -3 -6 2 67.32 2.11 1.3909 -2 -7 1 67.35 2.10 1.3903 3 4 2 67.45 1.03 1.3885 4 -2 2 67.67 3.67 1.3846 -4 4 0 67.96 1.17 1.3794 3 6 0 68.23 3.60 1.3746 1 -7 2 68.56 1.22 1.3688 3 2 3 68.57 1.46 1.3685 -2 -5 4 68.68 2.34 1.3666 -2 -7 2 68.85 2.88 1.3637 0 7 1 68.98 1.72 1.3614 -3 1 4 69.04 1.71 1.3604 1 6 2 69.04 2.44 1.3603 -4 -5 1 69.83 1.82 1.3469 -1 5 3 69.83 2.85 1.3469 5 1 0 70.33 2.37 1.3385 -4 -5 2 70.33 1.21 1.3385 -4 -4 3 70.80 1.19 1.3308 -1 -2 5 71.33 2.68 1.3223 -4 2 3 71.41 1.50 1.3210 -5 -1 2 71.90 2.05 1.3132 -3 -6 3 72.03 1.20 1.3112 -2 3 4 72.48 2.31 1.3041 -2 6 2 72.78 1.16 1.2994 -3 4 3 72.98 1.81 1.2964 0 0 5 73.06 1.41 1.2951 -5 2 0 74.18 1.05 1.2783 2 6 2 74.75 1.80 1.2700 4 -4 2 74.88 1.07 1.2681 -1 -8 2 75.22 1.48 1.2633 3 -6 2 75.41 1.10 1.2604 -1 4 4 76.11 1.67 1.2507 5 -2 1 76.76 1.70 1.2416 -1 8 0 76.92 1.10 1.2395 4 -2 3 79.53 1.28 1.2053 -1 -8 3 80.28 1.00 1.1959 -3 0 5 81.20 1.64 1.1846 2 -8 1 81.47 1.59 1.1814 -4 5 2 81.81 1.44 1.1773 -2 2 5 82.16 1.18 1.1731 3 -4 4 84.22 1.67 1.1497 2 4 4 85.06 1.63 1.1405 0 3 5 85.43 1.88 1.1365 -6 0 1 85.88 1.17 1.1316 2 1 5 89.58 1.03 1.0942 2 -8 3 89.96 1.15 1.0906 5 -5 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.