Bultfonteinite McIver E J Acta Crystallographica 16 (1963) 551-558 The structure of bultfonteinite, Ca4Si2O10F2H6 Locality: Bultfontein mine, Kimberley, South Africa _database_code_amcsd 0009278 CELL PARAMETERS: 10.9920 8.1850 5.6710 93.950 91.320 89.850 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 508.870 Density (g/cm3): 2.759 MAX. ABS. INTENSITY / VOLUME**2: 5.544767531 RIR: 0.654 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.83 44.03 8.1656 0 1 0 2 13.50 8.71 6.5575 1 1 0 2 13.52 9.73 6.5510 -1 1 0 2 16.13 8.24 5.4945 2 0 0 2 20.01 2.87 4.4369 -1 -1 1 2 21.18 2.83 4.1957 -1 1 1 2 21.77 14.02 4.0828 0 2 0 2 22.30 11.32 3.9870 -2 0 1 2 22.82 7.95 3.8967 2 0 1 2 23.23 4.22 3.8285 1 2 0 2 23.25 4.32 3.8259 -1 2 0 2 24.36 12.72 3.6544 -2 -1 1 2 24.85 17.23 3.5824 2 -1 1 2 25.34 47.96 3.5151 -2 1 1 2 25.79 48.17 3.4546 2 1 1 2 26.66 3.07 3.3434 3 1 0 2 26.68 3.76 3.3409 -3 1 0 2 27.20 3.58 3.2787 2 2 0 2 27.23 4.39 3.2755 -2 2 0 2 28.73 4.68 3.1072 -3 0 1 2 29.35 3.73 3.0429 3 0 1 2 30.38 13.37 2.9422 -3 -1 1 2 30.56 99.33 2.9255 -2 -2 1 2 30.98 100.00 2.8870 2 -2 1 2 30.99 23.93 2.8857 3 -1 1 2 31.64 55.10 2.8280 0 0 2 2 31.75 4.23 2.8182 3 1 1 2 32.14 59.67 2.7847 -2 2 1 2 32.50 50.13 2.7553 2 2 1 2 32.51 2.53 2.7541 -1 0 2 2 32.59 1.17 2.7473 4 0 0 2 32.83 4.75 2.7279 3 2 0 2 32.87 5.02 2.7251 -3 2 0 2 32.88 3.49 2.7238 1 0 2 2 33.64 2.04 2.6645 -1 -1 2 2 33.92 3.00 2.6427 1 3 0 2 33.94 2.59 2.6414 -1 3 0 2 34.00 6.62 2.6366 1 -1 2 2 34.26 7.12 2.6172 0 1 2 2 35.63 2.48 2.5200 -3 -2 1 2 36.02 4.31 2.4937 -4 0 1 2 36.69 7.29 2.4492 4 0 1 2 37.37 7.70 2.4061 -4 -1 1 2 38.05 5.56 2.3648 4 -1 1 2 38.06 4.38 2.3644 -4 1 1 2 38.17 1.38 2.3579 -1 -2 2 2 38.49 1.21 2.3389 -1 3 1 2 38.50 2.23 2.3382 1 -2 2 2 38.69 5.01 2.3275 4 1 1 2 39.52 1.26 2.2804 4 2 0 2 39.56 1.11 2.2782 -4 2 0 2 40.01 1.00 2.2533 0 2 2 2 40.73 14.22 2.2151 -1 2 2 2 41.03 13.34 2.1997 1 2 2 2 41.30 5.45 2.1858 3 3 0 2 41.35 6.05 2.1837 -3 3 0 2 41.69 1.14 2.1663 3 -1 2 2 42.59 10.05 2.1228 5 1 0 2 42.61 9.11 2.1217 -5 1 0 2 43.12 3.27 2.0979 -2 2 2 2 43.69 4.12 2.0720 2 2 2 2 44.38 18.90 2.0414 0 4 0 2 44.59 7.28 2.0322 0 -3 2 2 45.24 5.01 2.0046 -1 -3 2 2 45.50 29.66 1.9935 -4 0 2 2 45.51 1.21 1.9932 3 3 1 2 45.53 3.28 1.9922 1 -3 2 2 45.60 2.86 1.9893 -5 1 1 2 45.74 1.24 1.9838 5 -1 1 2 46.28 4.01 1.9618 5 1 1 2 46.35 14.54 1.9590 -4 -1 2 2 46.62 23.51 1.9484 4 0 2 2 46.93 7.02 1.9362 -1 -4 1 2 46.93 4.67 1.9361 5 2 0 2 46.97 28.49 1.9346 4 3 0 2 46.97 4.27 1.9344 -5 2 0 2 47.02 27.55 1.9326 -4 3 0 2 47.08 5.52 1.9302 1 -4 1 2 47.43 2.89 1.9168 -2 -3 2 2 47.47 12.91 1.9155 4 -1 2 2 47.48 2.56 1.9150 -4 1 2 2 47.96 28.00 1.8969 0 3 2 2 48.00 2.85 1.8955 2 -3 2 2 48.54 2.23 1.8755 4 1 2 2 48.75 1.77 1.8681 -4 -3 1 2 49.13 5.33 1.8544 -1 4 1 2 49.24 5.37 1.8503 1 4 1 2 49.33 1.45 1.8474 4 -3 1 2 50.84 1.20 1.7960 -2 0 3 2 51.12 1.05 1.7867 -6 1 0 2 51.34 1.32 1.7796 1 1 3 2 52.69 3.08 1.7373 -3 -4 1 2 52.88 5.88 1.7313 -5 -1 2 2 52.92 12.25 1.7303 -2 1 3 2 53.11 1.27 1.7244 3 -4 1 2 53.16 2.97 1.7230 -6 -1 1 2 53.38 1.44 1.7164 5 0 2 2 53.52 29.81 1.7121 0 -4 2 2 53.57 5.02 1.7108 5 3 0 2 53.62 5.33 1.7091 -5 3 0 2 53.66 12.85 1.7080 2 1 3 2 53.69 3.23 1.7073 -6 1 1 2 53.91 3.78 1.7006 -5 1 2 2 53.93 2.59 1.7002 6 -1 1 2 54.15 7.14 1.6937 5 -1 2 2 54.20 2.27 1.6922 -3 0 3 2 54.41 4.17 1.6864 6 1 1 2 54.44 16.09 1.6854 -2 -2 3 2 54.70 4.13 1.6779 -3 -1 3 2 54.75 5.05 1.6766 -3 4 1 2 55.07 2.68 1.6676 3 4 1 2 55.13 3.96 1.6660 5 1 2 2 55.19 10.24 1.6642 2 -2 3 2 55.31 2.28 1.6609 3 0 3 2 55.82 2.23 1.6471 3 -1 3 2 56.10 4.71 1.6394 4 4 0 2 56.16 4.69 1.6377 -4 4 0 2 56.64 1.89 1.6250 -6 -2 1 2 57.02 1.06 1.6151 -1 5 0 2 57.40 3.62 1.6054 -2 2 3 2 57.41 1.43 1.6052 6 -2 1 2 57.47 7.58 1.6036 0 4 2 2 57.65 2.52 1.5989 -6 2 1 2 57.97 1.62 1.5909 4 -4 1 2 58.10 2.99 1.5878 2 2 3 2 58.11 1.33 1.5874 -5 2 2 2 58.32 2.26 1.5822 6 2 1 2 58.74 1.70 1.5718 -4 3 2 2 59.64 2.19 1.5504 4 3 2 2 59.79 1.24 1.5466 -2 -3 3 2 60.16 3.01 1.5381 -2 -5 1 2 60.43 2.47 1.5319 2 -5 1 2 60.89 1.00 1.5215 6 0 2 2 61.62 1.20 1.5051 -5 -3 2 2 61.80 5.54 1.5012 -7 -1 1 2 62.22 1.03 1.4922 3 5 0 2 62.23 1.11 1.4919 -1 3 3 2 62.27 1.13 1.4910 -3 5 0 2 62.28 6.71 1.4907 -7 1 1 2 62.51 5.60 1.4858 -2 5 1 2 62.62 3.09 1.4835 7 -1 1 2 62.70 5.68 1.4817 2 5 1 2 62.81 1.60 1.4795 5 -3 2 2 63.05 3.22 1.4744 7 1 1 2 64.59 1.14 1.4429 6 -2 2 2 66.08 8.55 1.4140 0 0 4 2 66.31 9.62 1.4097 0 -1 4 2 66.65 1.63 1.4033 7 2 1 2 68.28 2.00 1.3736 8 0 0 2 69.01 1.47 1.3609 -3 -5 2 2 69.36 3.01 1.3548 8 1 0 2 69.39 2.61 1.3544 -8 1 0 2 69.60 3.52 1.3508 1 6 0 2 69.62 3.73 1.3504 -1 6 0 2 69.70 1.14 1.3491 3 -5 2 2 70.28 1.76 1.3394 -7 -3 1 2 70.48 1.95 1.3361 -2 5 2 2 70.87 1.80 1.3296 2 5 2 2 71.06 1.44 1.3266 -7 -2 2 2 71.09 1.25 1.3260 7 -3 1 2 71.72 1.31 1.3160 -6 4 1 2 72.24 2.04 1.3078 -2 -6 1 2 72.27 1.33 1.3073 6 4 1 2 72.49 1.77 1.3039 2 -6 1 2 72.59 1.51 1.3024 7 -2 2 2 73.35 1.91 1.2907 -3 5 2 2 73.93 1.63 1.2821 3 5 2 2 75.12 1.74 1.2647 -3 4 3 2 75.81 1.80 1.2548 6 -2 3 2 76.01 1.53 1.2520 3 4 3 2 77.49 1.12 1.2318 -2 -6 2 2 77.94 1.07 1.2258 2 -6 2 2 78.27 1.16 1.2214 6 2 3 2 78.31 1.99 1.2209 0 3 4 2 78.77 1.36 1.2149 -7 -1 3 2 78.88 1.07 1.2135 -3 -5 3 2 79.24 1.99 1.2089 -6 -5 1 2 79.81 1.74 1.2018 0 -4 4 2 79.85 1.56 1.2012 3 -5 3 2 79.95 2.38 1.1999 6 -5 1 2 80.00 1.27 1.1993 6 4 2 2 80.03 1.55 1.1989 -7 1 3 2 80.94 1.69 1.1878 7 -1 3 2 81.40 1.22 1.1822 -8 2 2 2 81.69 1.02 1.1787 -4 -3 4 2 82.15 1.75 1.1733 7 1 3 2 82.39 2.77 1.1705 -2 5 3 2 82.73 1.70 1.1665 0 7 0 2 82.97 2.90 1.1638 2 5 3 2 84.44 2.81 1.1473 -8 -3 2 2 85.58 1.04 1.1348 -5 2 4 2 85.77 1.25 1.1328 -7 -3 3 2 86.13 2.04 1.1291 8 -3 2 2 86.58 1.01 1.1243 -7 -5 1 2 86.59 1.38 1.1242 -5 -3 4 2 86.60 1.36 1.1241 -9 -1 2 2 86.63 3.03 1.1238 -4 3 4 2 86.91 1.94 1.1208 -2 -6 3 2 86.96 1.74 1.1204 -8 3 2 2 87.39 2.07 1.1159 7 -5 1 2 87.56 2.10 1.1143 2 -6 3 2 87.56 1.12 1.1142 5 2 4 2 87.62 1.20 1.1136 -9 3 0 2 88.05 2.61 1.1092 -4 -4 4 2 88.20 2.67 1.1078 4 3 4 2 88.49 1.68 1.1049 8 3 2 2 89.10 1.31 1.0989 -5 -6 2 2 89.71 2.57 1.0930 4 -4 4 2 89.72 3.30 1.0929 -2 1 5 2 89.73 1.32 1.0928 -2 -2 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.