Creedite 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 _database_code_amcsd 0014772 CELL PARAMETERS: 13.9360 8.6060 9.9850 90.000 94.390 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1194.020 Density (g/cm3): 2.738 MAX. ABS. INTENSITY / VOLUME**2: 4.398343928 RIR: 0.523 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.10 76.40 7.3164 1 1 0 4 12.74 76.10 6.9476 2 0 0 2 14.73 4.78 6.0123 -1 1 1 4 15.32 41.76 5.7854 1 1 1 4 17.82 26.39 4.9779 0 0 2 2 20.64 4.54 4.3030 0 2 0 2 21.15 14.90 4.2015 -2 0 2 2 21.18 4.52 4.1950 -1 1 2 4 21.79 27.72 4.0785 3 1 0 4 22.51 54.00 3.9499 0 2 1 4 22.76 61.15 3.9073 2 0 2 2 23.00 14.24 3.8666 -3 1 1 4 24.13 5.93 3.6879 3 1 1 4 24.33 21.96 3.6582 2 2 0 4 25.60 33.85 3.4794 -2 2 1 4 25.64 100.00 3.4738 4 0 0 2 27.32 33.76 3.2645 -3 1 2 4 27.40 14.13 3.2553 0 2 2 4 29.10 51.29 3.0691 -1 1 3 4 29.72 13.37 3.0062 -2 2 2 4 30.01 6.86 2.9774 1 1 3 4 30.23 3.92 2.9569 -4 0 2 2 30.91 15.62 2.8927 2 2 2 4 31.85 13.02 2.8094 1 3 0 4 32.54 35.71 2.7516 4 0 2 2 32.99 23.18 2.7148 -1 3 1 4 33.27 17.63 2.6930 1 3 1 4 33.65 1.73 2.6635 -3 1 3 4 33.84 1.61 2.6487 -4 2 1 4 34.12 8.93 2.6278 0 2 3 4 34.45 26.11 2.6034 -5 1 1 4 34.91 4.63 2.5701 4 2 1 4 35.76 9.09 2.5109 5 1 1 4 35.79 2.11 2.5087 -2 2 3 4 36.02 17.38 2.4932 3 1 3 4 36.09 3.86 2.4889 0 0 4 2 36.86 9.68 2.4388 3 3 0 4 36.88 6.50 2.4370 -4 2 2 4 36.98 10.09 2.4306 1 3 2 4 37.31 1.06 2.4100 2 2 3 4 37.32 6.02 2.4093 -5 1 2 4 37.44 4.85 2.4022 -2 0 4 2 38.35 10.82 2.3470 3 3 1 4 38.68 9.67 2.3279 1 1 4 4 38.85 3.02 2.3181 4 2 2 4 38.89 9.54 2.3159 6 0 0 2 39.38 20.48 2.2882 2 0 4 2 40.53 2.41 2.2258 -3 3 2 4 41.20 25.45 2.1913 -3 1 4 4 41.74 2.80 2.1640 -6 0 2 2 41.80 56.68 2.1608 -1 3 3 4 41.83 5.91 2.1597 -4 2 3 4 41.90 19.51 2.1560 3 3 2 4 41.93 1.15 2.1545 0 2 4 4 42.11 2.24 2.1458 -5 1 3 4 42.48 2.54 2.1280 1 3 3 4 43.01 7.42 2.1030 0 4 1 4 43.06 11.54 2.1008 -4 0 4 2 43.87 8.93 2.0636 3 1 4 4 44.06 4.34 2.0552 2 4 0 4 44.39 2.97 2.0408 6 0 2 2 44.42 9.91 2.0393 6 2 0 4 44.47 3.00 2.0372 4 2 3 4 44.76 3.16 2.0248 -6 2 1 4 44.83 33.62 2.0219 -2 4 1 4 45.25 5.33 2.0038 2 4 1 4 45.38 16.55 1.9984 5 1 3 4 45.44 1.67 1.9960 5 3 0 4 45.87 2.11 1.9781 -5 3 1 4 45.95 14.42 1.9749 0 4 2 4 46.03 9.26 1.9718 6 2 1 4 46.48 9.83 1.9536 4 0 4 2 46.80 14.08 1.9412 -1 1 5 4 46.92 1.12 1.9366 5 3 1 4 47.00 18.16 1.9333 -6 2 2 4 47.13 3.02 1.9285 3 3 3 4 47.19 5.77 1.9258 -7 1 1 4 47.48 16.26 1.9150 -2 4 2 4 48.18 12.00 1.8888 -5 3 2 4 48.29 1.33 1.8847 2 4 2 4 48.36 2.28 1.8822 -5 1 4 4 48.49 13.19 1.8775 -1 3 4 4 48.62 4.80 1.8728 7 1 1 4 49.25 23.70 1.8501 -7 1 2 4 49.43 7.13 1.8440 6 2 2 4 49.57 8.64 1.8388 -3 1 5 4 50.17 1.12 1.8184 5 3 2 4 50.36 8.82 1.8120 -4 4 1 4 50.96 6.81 1.7922 -6 2 3 4 51.35 2.25 1.7792 -2 2 5 4 51.39 1.12 1.7781 -3 3 4 4 51.83 1.61 1.7641 -6 0 4 2 52.16 7.64 1.7536 -5 3 3 4 52.28 15.30 1.7500 5 1 4 4 52.61 5.62 1.7397 -4 4 2 4 52.70 3.41 1.7369 8 0 0 2 53.67 6.55 1.7079 3 3 4 4 54.11 6.61 1.6949 4 4 2 4 54.37 2.68 1.6874 6 2 3 4 54.61 10.71 1.6804 -8 0 2 2 54.97 11.25 1.6704 5 3 3 4 55.37 1.48 1.6593 0 0 6 2 55.73 8.05 1.6495 -5 1 5 4 55.98 9.13 1.6426 -2 0 6 2 56.21 6.34 1.6365 -1 3 5 4 56.37 1.36 1.6323 7 3 0 4 56.54 1.11 1.6277 0 4 4 4 56.86 1.75 1.6194 7 1 3 4 57.09 6.82 1.6134 3 5 0 4 57.11 5.17 1.6128 1 3 5 4 57.18 3.49 1.6110 1 5 2 4 57.29 1.48 1.6081 -8 2 1 4 57.44 2.14 1.6043 1 1 6 4 57.50 1.10 1.6027 -2 4 4 4 57.52 6.51 1.6022 8 0 2 2 57.58 4.93 1.6007 -5 3 4 4 57.63 1.65 1.5994 -3 5 1 4 58.14 8.34 1.5867 2 0 6 2 58.38 1.66 1.5808 -7 3 2 4 58.56 5.77 1.5762 6 4 0 4 58.60 1.83 1.5753 4 4 3 4 58.63 2.27 1.5744 -3 1 6 4 58.72 3.21 1.5725 8 2 1 4 58.84 3.97 1.5695 -6 4 1 4 59.26 3.98 1.5594 4 2 5 4 59.89 2.53 1.5445 6 4 1 4 60.82 2.10 1.5229 7 3 2 4 60.82 1.71 1.5229 3 5 2 4 60.97 1.40 1.5196 9 1 0 4 60.98 1.38 1.5194 -9 1 1 4 61.27 3.59 1.5130 1 5 3 4 61.27 12.68 1.5128 3 3 5 4 61.73 9.71 1.5027 -7 3 3 4 61.76 3.17 1.5020 3 1 6 4 62.26 3.70 1.4912 -8 2 3 4 62.38 1.50 1.4887 2 2 6 4 62.75 1.92 1.4807 6 4 2 4 63.01 2.03 1.4752 -6 2 5 4 63.03 2.11 1.4749 7 1 4 4 63.59 1.18 1.4633 5 5 0 4 63.68 1.57 1.4614 0 4 5 4 63.93 3.33 1.4562 -5 5 1 4 64.01 2.40 1.4546 4 0 6 2 64.23 1.64 1.4501 -5 3 5 4 64.42 2.41 1.4463 4 4 4 4 64.63 3.27 1.4422 -7 1 5 4 64.77 2.18 1.4394 5 5 1 4 64.81 5.25 1.4385 -1 3 6 4 64.94 2.26 1.4360 3 5 3 4 65.02 2.42 1.4343 0 6 0 2 65.27 1.15 1.4295 7 3 3 4 65.57 1.61 1.4238 9 1 2 4 65.61 1.17 1.4228 -9 1 3 4 65.79 2.14 1.4194 -5 5 2 4 65.81 2.65 1.4191 1 3 6 4 66.05 1.64 1.4146 -1 5 4 4 66.49 1.72 1.4062 -7 3 4 4 66.57 3.14 1.4047 2 6 0 4 66.70 2.67 1.4022 1 5 4 4 66.80 2.48 1.4005 -6 0 6 2 67.05 1.58 1.3959 6 4 3 4 67.43 4.96 1.3888 5 5 2 4 67.61 1.43 1.3857 1 1 7 4 68.16 1.67 1.3758 8 0 4 2 68.45 3.01 1.3706 -3 5 4 4 69.62 1.09 1.3504 0 2 7 4 69.65 2.92 1.3499 -8 4 1 4 70.34 1.85 1.3384 7 1 5 4 70.57 2.78 1.3345 -9 3 2 4 71.02 3.95 1.3272 7 3 4 4 71.33 1.69 1.3223 10 2 0 4 71.52 7.50 1.3192 -4 6 1 4 71.94 1.38 1.3126 10 0 2 2 71.98 2.05 1.3119 -5 3 6 4 73.35 5.49 1.2907 -4 2 7 4 73.36 1.76 1.2905 -4 6 2 4 73.37 2.11 1.2905 1 5 5 4 73.47 5.69 1.2889 -9 3 3 4 73.78 1.17 1.2842 -5 5 4 4 75.76 1.73 1.2556 9 1 4 4 75.84 2.57 1.2545 -9 1 5 4 76.66 3.17 1.2430 7 5 2 4 76.77 1.20 1.2416 -2 0 8 2 77.48 2.26 1.2319 -7 5 3 4 77.51 1.78 1.2315 -2 6 4 4 77.68 2.65 1.2293 9 3 3 4 77.73 4.92 1.2286 11 1 1 4 78.43 3.54 1.2194 6 6 0 4 78.74 3.54 1.2153 2 6 4 4 79.23 2.27 1.2090 2 0 8 2 79.58 1.18 1.2046 -10 2 4 4 80.03 1.10 1.1990 -8 2 6 4 80.30 1.12 1.1956 -6 6 2 4 80.31 1.59 1.1955 0 2 8 4 80.79 2.55 1.1896 -5 3 7 4 81.05 1.78 1.1864 0 4 7 4 81.83 1.45 1.1771 -7 5 4 4 81.96 2.32 1.1756 10 0 4 2 83.22 1.25 1.1610 -3 7 2 4 83.38 1.31 1.1591 8 4 4 4 83.48 1.38 1.1579 12 0 0 2 83.54 2.64 1.1573 2 4 7 4 83.56 1.75 1.1571 5 5 5 4 83.58 1.25 1.1569 -4 2 8 4 83.65 2.56 1.1561 11 3 0 4 84.06 1.51 1.1514 -1 7 3 4 84.61 2.42 1.1454 -4 4 7 4 84.95 1.00 1.1416 3 5 6 4 85.76 3.43 1.1330 -6 0 8 2 87.36 1.71 1.1163 -11 3 3 4 87.52 2.39 1.1147 -7 5 5 4 88.05 3.39 1.1092 12 0 2 2 88.19 1.13 1.1079 -10 0 6 2 88.24 1.19 1.1074 -7 3 7 4 88.27 1.37 1.1071 7 1 7 4 88.37 3.19 1.1061 9 5 2 4 88.41 1.17 1.1057 4 2 8 4 88.41 1.12 1.1057 -9 5 3 4 89.41 2.45 1.0959 1 7 4 4 89.43 1.08 1.0957 5 1 8 4 89.94 1.50 1.0908 3 3 8 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.