{\rtf1\ansi\deff0{\fonttbl{\f0\fnil\fcharset0 Courier New;}} {\*\generator Msftedit 5.41.15.1507;}\viewkind4\uc1\pard\lang1033\f0\fs20 Parascholzite\par Diffraction data computed using the structure from the paper listed below,\par along with the cell parameters refined from the powder pattern for R060806\par Taxer K J\par Zeitschrift fur Kristallographie 198 (1992) 239-253\par Order-disorder and polymorphism of the compound\par with the composition of scholzite, CaZn2[PO4]2*2H2O\par Note: hypothetical idealized structure\par Note: x(O2) corrected\par \par CELL PARAMETERS: 17.8630 7.4120 6.6670 90.000 106.250 90.000\par SPACE GROUP: C2/c \par \par ATOM X Y Z OCCUPANCY ISO(B)\par Ca 0.00000 0.37500 0.75000 1.000 1.300\par Zn 0.27270 0.50000 0.01700 1.000 0.700\par P 0.35000 0.18750 0.82500 1.000 0.500\par O 0.43750 0.05000 0.89100 1.000 1.000\par O 0.27270 0.05000 0.76300 1.000 1.000\par O 0.15000 0.20000 0.38900 1.000 1.000\par Wa 0.05000 0.15000 0.60000 1.000 1.000\par O 0.35000 0.30000 0.01250 1.000 1.000\par \par X-RAY WAVELENGTH: 1.541838\par BOUNDS ON TWO THETA: 5.0 90.0\par LIMITS IMPOSED ON THE INDICES ARE: +/- 15 +/- 6 +/- 5\par MAX. ABS. INTENSITY / VOLUME**2: 20.75826444 \par The INTENSITY cut off value is 1.00\par \par 2-THETA INTENSITY D-SPACING H K L\par 10.32 100.00 8.5747 2 0 0\par 13.01 6.56 6.8037 1 1 0\par 17.94 3.01 4.9439 -1 1 1\par 19.61 20.27 4.5266 3 1 0\par 20.07 2.11 4.4233 1 1 1\par 20.72 16.96 4.2873 4 0 0\par 21.38 40.04 4.1552 -3 1 1\par 24.01 8.58 3.7060 0 2 0\par 26.20 31.36 3.4019 2 2 0\par 26.52 28.42 3.3613 3 1 1\par 26.87 5.02 3.3178 -2 0 2\par 27.82 3.63 3.2072 0 2 1\par 27.88 6.61 3.2003 0 0 2\par 28.31 12.79 3.1525 -2 2 1\par 28.52 1.56 3.1292 -5 1 1\par 28.68 4.78 3.1128 5 1 0\par 29.80 12.42 2.9981 -4 0 2\par 30.42 3.43 2.9380 -3 1 2\par 31.92 57.26 2.8037 4 2 0\par 32.20 21.47 2.7795 1 1 2\par 32.43 7.11 2.7605 -4 2 1\par 32.48 18.79 2.7563 2 0 2\par 34.73 19.65 2.5832 -5 1 2\par 35.11 5.84 2.5556 5 1 1\par 35.79 2.85 2.5090 -6 0 2\par 36.34 9.81 2.4719 -2 2 2\par 37.12 9.38 2.4222 0 2 2\par 37.46 1.53 2.4006 -7 1 1\par 37.85 4.55 2.3767 3 1 2\par 38.63 11.47 2.3309 -4 2 2\par 38.71 8.99 2.3261 7 1 0\par 39.17 4.43 2.3000 -6 2 1\par 39.74 2.26 2.2679 3 3 0\par 39.83 25.38 2.2633 6 2 0\par 39.99 1.10 2.2546 1 3 1\par 40.80 6.57 2.2116 2 2 2\par 41.49 2.78 2.1767 -7 1 2\par 42.15 1.87 2.1437 8 0 0\par 43.56 4.08 2.0776 -6 2 2\par 45.23 5.83 2.0047 5 3 0\par 45.52 8.08 1.9927 5 1 2\par 45.79 1.01 1.9816 -1 3 2\par 46.82 1.82 1.9402 4 2 2\par 47.43 1.23 1.9169 -9 1 1\par 47.60 2.70 1.9103 -8 2 1\par 47.70 1.44 1.9067 1 3 2\par 47.74 11.78 1.9052 -2 2 3\par 48.26 3.99 1.8857 6 0 2\par 49.17 1.82 1.8530 0 4 0\par 49.28 1.11 1.8490 0 2 3\par 49.38 2.49 1.8455 9 1 0\par 49.55 1.74 1.8397 -5 3 2\par 49.91 7.53 1.8273 -9 1 2\par 50.38 13.45 1.8112 2 4 0\par 51.64 1.64 1.7701 -7 3 1\par 53.06 1.63 1.7260 -10 0 2\par 53.43 3.29 1.7149 10 0 0\par 53.90 1.01 1.7009 4 4 0\par 54.59 2.68 1.6811 7 1 2\par 54.61 1.09 1.6806 6 2 2\par 54.83 9.07 1.6744 -7 3 2\par 55.38 5.27 1.6589 -2 0 4\par 55.38 9.12 1.6589 -4 0 4\par 56.92 3.26 1.6178 -2 4 2\par 57.26 1.64 1.6090 -10 2 1\par 57.47 5.62 1.6036 0 4 2\par 57.60 1.50 1.6002 7 3 1\par 57.60 1.33 1.6002 0 0 4\par 58.16 9.06 1.5862 5 3 2\par 58.56 3.42 1.5762 -4 4 2\par 59.45 2.44 1.5548 6 4 0\par 59.56 2.36 1.5521 -11 1 2\par 60.70 3.72 1.5256 11 1 0\par 61.21 2.17 1.5142 -2 2 4\par 61.21 2.36 1.5141 -4 2 4\par 61.45 5.51 1.5089 9 3 0\par 61.90 1.65 1.4991 -8 0 4\par 61.90 6.64 1.4989 -9 3 2\par 63.30 3.24 1.4691 0 2 4\par 63.31 3.51 1.4690 -6 2 4\par 64.80 4.28 1.4388 9 1 2\par 64.87 2.37 1.4373 4 4 2\par 65.19 1.36 1.4312 10 2 1\par 66.02 5.05 1.4150 7 3 2\par 66.11 2.13 1.4135 3 1 4\par 67.38 3.89 1.3898 2 2 4\par 67.39 3.77 1.3897 -8 2 4\par 67.91 1.10 1.3802 -8 4 2\par 69.02 1.44 1.3607 5 5 0\par 69.94 1.86 1.3451 -3 5 2\par 70.31 4.59 1.3388 -13 1 2\par 70.52 2.62 1.3355 -11 3 2\par 70.92 1.35 1.3289 1 5 2\par 71.77 2.48 1.3152 1 3 4\par 71.78 1.29 1.3151 -7 3 4\par 72.39 1.18 1.3055 -5 5 2\par 73.04 1.63 1.2955 -11 1 4\par 73.29 1.04 1.2917 4 2 4\par 73.78 1.52 1.2842 -1 1 5\par 74.32 1.69 1.2763 3 5 2\par 74.51 1.30 1.2735 -7 1 5\par 75.36 1.18 1.2612 9 3 2\par 76.12 2.63 1.2506 11 1 2\par 77.18 2.30 1.2360 -2 4 4\par 77.23 1.62 1.2353 0 6 0\par 78.00 1.32 1.2250 14 0 0\par 78.17 1.12 1.2227 2 6 0\par 79.07 2.19 1.2111 -6 4 4\par 81.58 1.46 1.1801 7 1 4\par 82.25 1.67 1.1721 -15 1 2\par 82.43 1.63 1.1700 9 5 0\par 82.98 1.90 1.1637 13 3 0\par 84.90 1.30 1.1422 -4 6 2\par 86.04 1.06 1.1299 15 1 0\par 86.29 1.23 1.1273 2 6 2\par 88.76 1.36 1.1023 13 1 2\par ================================================================================\par XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs\par For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.\par \par }