Creedite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050141 Giuseppetti G, Tadini C Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 69-78 Structural analysis and refinement of Bolivian creedite, Ca3Al2F8(OH)2(SO4)*2(H2O): The role of the hydrogen atoms Locality: Tin mines of the Catavi (Llallagua) zone, Bolivia CELL PARAMETERS: 13.9533 8.6087 9.9874 90.000 94.355 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Ca 0.24720 0.21820 0.19270 1.000 0.670 Ca 0.00000 0.02690 0.25000 1.000 0.780 Al 0.29830 0.39970 0.48760 1.000 0.540 F 0.14070 0.11850 0.34680 1.000 0.940 F 0.40890 0.45400 0.42520 1.000 1.230 F 0.26500 0.40160 0.02390 1.000 0.910 F 0.23610 0.44040 0.32130 1.000 0.970 Oh 0.30820 0.18990 0.43790 1.000 0.670 H 0.35500 0.15400 0.43400 1.000 1.400 S 0.00000 0.65730 0.25000 1.000 0.730 O 0.42160 0.26100 0.19260 1.000 1.050 O 0.46660 0.06070 0.35780 1.000 1.410 Ow 0.07160 0.25790 0.11670 1.000 1.280 H 0.06400 0.24600 0.03800 1.000 3.300 H 0.05400 0.34900 0.12800 1.000 3.100 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 7 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 4.397892105 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.09 76.22 7.3206 1 1 0 12.73 76.05 6.9565 2 0 0 14.73 4.77 6.0142 -1 1 1 15.31 41.68 5.7891 1 1 1 17.81 26.31 4.9793 0 0 2 20.63 4.53 4.3043 0 2 0 21.14 14.86 4.2028 -2 0 2 21.17 4.51 4.1959 -1 1 2 21.77 27.71 4.0829 3 1 0 22.50 53.85 3.9511 0 2 1 22.74 61.09 3.9108 2 0 2 22.98 14.22 3.8696 -3 1 1 24.10 5.93 3.6921 3 1 1 24.32 21.91 3.6603 2 2 0 25.59 33.77 3.4809 -2 2 1 25.61 100.00 3.4783 4 0 0 27.31 33.68 3.2661 -3 1 2 27.39 14.09 3.2563 0 2 2 29.09 51.14 3.0697 -1 1 3 29.71 13.33 3.0071 -2 2 2 30.00 6.84 2.9788 1 1 3 30.20 3.92 2.9589 -4 0 2 30.89 15.59 2.8945 2 2 2 31.84 12.99 2.8104 1 3 0 32.50 35.72 2.7549 4 0 2 32.98 23.12 2.7157 -1 3 1 33.26 17.58 2.6940 1 3 1 33.64 1.73 2.6643 -3 1 3 33.82 1.61 2.6507 -4 2 1 34.11 8.91 2.6286 0 2 3 34.41 26.11 2.6060 -5 1 1 34.88 4.63 2.5726 4 2 1 35.71 9.09 2.5141 5 1 1 35.78 2.11 2.5093 -2 2 3 35.99 17.37 2.4953 3 1 3 36.08 3.85 2.4896 0 0 4 36.83 9.67 2.4402 3 3 0 36.86 6.48 2.4383 -4 2 2 36.97 10.07 2.4316 1 3 2 37.29 1.06 2.4115 2 2 3 37.29 6.01 2.4111 -5 1 2 37.43 4.84 2.4026 -2 0 4 38.33 10.81 2.3485 3 3 1 38.66 9.65 2.3289 1 1 4 38.81 3.02 2.3204 4 2 2 38.84 9.55 2.3188 6 0 0 39.35 20.45 2.2895 2 0 4 40.51 2.40 2.2267 -3 3 2 41.19 25.38 2.1918 -3 1 4 41.70 2.80 2.1660 -6 0 2 41.79 56.53 2.1613 -1 3 3 41.81 5.89 2.1605 -4 2 3 41.87 19.49 2.1574 3 3 2 41.92 1.14 2.1551 0 2 4 42.09 2.24 2.1469 -5 1 3 42.46 2.53 2.1289 1 3 3 43.00 7.40 2.1036 0 4 1 43.04 11.51 2.1014 -4 0 4 43.84 8.92 2.0651 3 1 4 44.04 4.33 2.0560 2 4 0 44.33 2.97 2.0435 6 0 2 44.37 9.91 2.0414 6 2 0 44.43 3.00 2.0390 4 2 3 44.71 3.15 2.0267 -6 2 1 44.81 33.54 2.0226 -2 4 1 45.23 5.32 2.0047 2 4 1 45.33 16.56 2.0007 5 1 3 45.40 1.66 1.9976 5 3 0 45.84 2.11 1.9795 -5 3 1 45.94 14.38 1.9755 0 4 2 45.97 9.28 1.9741 6 2 1 46.44 9.83 1.9554 4 0 4 46.79 14.05 1.9416 -1 1 5 46.87 1.12 1.9383 5 3 1 46.96 18.14 1.9348 -6 2 2 47.09 3.02 1.9297 3 3 3 47.14 5.77 1.9279 -7 1 1 47.46 16.22 1.9156 -2 4 2 48.15 11.98 1.8899 -5 3 2 48.27 1.33 1.8855 2 4 2 48.34 2.27 1.8829 -5 1 4 48.47 13.16 1.8779 -1 3 4 48.55 4.80 1.8752 7 1 1 49.20 23.71 1.8518 -7 1 2 49.37 7.14 1.8460 6 2 2 49.56 8.61 1.8392 -3 1 5 50.12 1.12 1.8200 5 3 2 50.33 8.80 1.8129 -4 4 1 50.92 6.80 1.7932 -6 2 3 51.34 2.25 1.7796 -2 2 5 51.37 1.12 1.7786 -3 3 4 51.80 1.61 1.7650 -6 0 4 52.13 7.63 1.7544 -5 3 3 52.22 15.31 1.7517 5 1 4 52.58 5.61 1.7405 -4 4 2 52.63 3.42 1.7391 8 0 0 53.63 6.54 1.7089 3 3 4 54.07 6.61 1.6960 4 4 2 54.31 2.68 1.6893 6 2 3 54.56 10.71 1.6821 -8 0 2 54.92 11.26 1.6718 5 3 3 55.35 1.48 1.6598 0 0 6 55.71 8.03 1.6500 -5 1 5 55.97 9.11 1.6429 -2 0 6 56.19 6.32 1.6369 -1 3 5 56.31 1.36 1.6339 7 3 0 56.52 1.11 1.6282 0 4 4 56.78 1.75 1.6214 7 1 3 57.06 6.81 1.6141 3 5 0 57.09 5.16 1.6134 1 3 5 57.16 3.49 1.6116 1 5 2 57.23 1.48 1.6097 -8 2 1 57.42 2.14 1.6049 1 1 6 57.44 6.52 1.6044 8 0 2 57.49 1.10 1.6031 -2 4 4 57.56 4.92 1.6013 -5 3 4 57.61 1.65 1.6000 -3 5 1 58.11 8.33 1.5875 2 0 6 58.33 1.66 1.5820 -7 3 2 58.51 5.77 1.5774 6 4 0 58.56 1.83 1.5763 4 4 3 58.62 2.27 1.5747 -3 1 6 58.64 3.21 1.5744 8 2 1 58.79 3.97 1.5706 -6 4 1 59.21 3.98 1.5605 4 2 5 59.83 2.53 1.5457 6 4 1 60.75 2.10 1.5245 7 3 2 60.79 1.70 1.5237 3 5 2 60.88 1.40 1.5216 9 1 0 60.90 1.38 1.5212 -9 1 1 61.24 12.66 1.5137 3 3 5 61.24 3.58 1.5135 1 5 3 61.69 9.70 1.5036 -7 3 3 61.72 3.17 1.5029 3 1 6 62.21 3.70 1.4923 -8 2 3 62.34 1.50 1.4894 2 2 6 62.69 1.92 1.4819 6 4 2 62.95 2.12 1.4766 7 1 4 62.98 2.03 1.4758 -6 2 5 63.54 1.18 1.4641 5 5 0 63.66 1.57 1.4618 0 4 5 63.89 3.32 1.4570 -5 5 1 63.96 2.40 1.4556 4 0 6 64.21 1.64 1.4505 -5 3 5 64.37 2.41 1.4473 4 4 4 64.59 3.26 1.4428 -7 1 5 64.72 2.18 1.4403 5 5 1 64.80 5.23 1.4388 -1 3 6 64.90 2.25 1.4367 3 5 3 65.00 2.41 1.4348 0 6 0 65.19 1.15 1.4310 7 3 3 65.47 1.62 1.4257 9 1 2 65.55 1.17 1.4241 -9 1 3 65.76 2.14 1.4201 -5 5 2 65.78 2.65 1.4196 1 3 6 66.03 1.63 1.4150 -1 5 4 66.45 1.72 1.4069 -7 3 4 66.54 3.13 1.4052 2 6 0 66.68 2.67 1.4027 1 5 4 66.77 2.48 1.4009 -6 0 6 66.98 1.58 1.3971 6 4 3 67.38 4.95 1.3897 5 5 2 67.58 1.43 1.3862 1 1 7 68.07 1.67 1.3775 8 0 4 68.43 3.00 1.3710 -3 5 4 69.58 2.92 1.3511 -8 4 1 69.60 1.09 1.3508 0 2 7 70.25 1.85 1.3398 7 1 5 70.50 2.78 1.3357 -9 3 2 70.94 3.95 1.3285 7 3 4 71.23 1.69 1.3239 10 2 0 71.48 7.48 1.3198 -4 6 1 71.82 1.38 1.3144 10 0 2 71.96 2.05 1.3123 -5 3 6 73.33 1.76 1.2910 -4 6 2 73.33 5.47 1.2910 -4 2 7 73.34 2.11 1.2909 1 5 5 73.41 5.69 1.2899 -9 3 3 73.75 1.17 1.2847 -5 5 4 75.65 1.73 1.2572 9 1 4 75.78 2.56 1.2552 -9 1 5 76.59 3.17 1.2440 7 5 2 76.75 1.20 1.2418 -2 0 8 77.43 2.26 1.2326 -7 5 3 77.48 1.78 1.2319 -2 6 4 77.57 2.66 1.2307 9 3 3 77.61 4.93 1.2302 11 1 1 78.37 3.53 1.2201 6 6 0 78.71 3.54 1.2158 2 6 4 79.19 2.27 1.2095 2 0 8 79.51 1.18 1.2055 -10 2 4 79.98 1.10 1.1995 -8 2 6 80.26 1.12 1.1961 -6 6 2 80.28 1.58 1.1958 0 2 8 80.77 2.54 1.1899 -5 3 7 81.02 1.77 1.1868 0 4 7 81.79 1.45 1.1776 -7 5 4 81.83 2.33 1.1771 10 0 4 83.18 1.24 1.1614 -3 7 2 83.29 1.31 1.1602 8 4 4 83.35 1.38 1.1594 12 0 0 83.49 1.75 1.1578 5 5 5 83.50 2.63 1.1578 2 4 7 83.53 2.56 1.1574 11 3 0 83.56 1.25 1.1571 -4 2 8 84.03 1.50 1.1518 -1 7 3 84.59 2.41 1.1456 -4 4 7 84.90 1.00 1.1422 3 5 6 85.73 3.42 1.1332 -6 0 8 87.26 1.71 1.1173 -11 3 3 87.47 2.39 1.1151 -7 5 5 87.91 3.39 1.1107 12 0 2 88.13 1.13 1.1085 -10 0 6 88.17 1.37 1.1081 7 1 7 88.21 1.19 1.1077 -7 3 7 88.27 3.18 1.1071 9 5 2 88.34 1.12 1.1064 -9 5 3 88.35 1.17 1.1063 4 2 8 89.35 1.08 1.0964 5 1 8 89.37 2.44 1.0963 1 7 4 89.88 1.50 1.0914 3 3 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.