Bultfonteinite Biagioni C, Bonaccorsi E, Merlino S Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A 115 (2010) 9-15 Crystal structure of bultfonteinite, Ca4[SiO3(OH)]2F2*2H2O, from N'chwaning II mine (Kalahari Manganese Field, Republic of South Africa) Locality: N'chwaning II mine, South Africa _database_code_amcsd 0018795 CELL PARAMETERS: 10.9990 8.1760 5.6678 94.240 89.000 90.180 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 508.220 Density (g/cm3): 2.554 MAX. ABS. INTENSITY / VOLUME**2: 5.616144604 RIR: 0.716 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.85 78.58 8.1536 0 1 0 2 13.51 27.15 6.5556 -1 1 0 2 13.53 27.23 6.5440 1 1 0 2 16.12 9.64 5.4987 2 0 0 2 19.45 2.91 4.5628 -2 1 0 2 19.49 3.02 4.5549 2 1 0 2 21.46 1.62 4.1401 -1 1 1 2 21.80 13.26 4.0768 0 2 0 2 22.36 4.17 3.9755 2 0 1 2 22.76 4.58 3.9075 -2 0 1 2 23.26 3.44 3.8249 -1 2 0 2 23.28 3.12 3.8203 1 2 0 2 24.38 11.70 3.6509 2 -1 1 2 24.77 11.13 3.5941 -2 -1 1 2 25.44 44.21 3.5006 2 1 1 2 25.77 40.29 3.4573 -2 1 1 2 26.64 6.37 3.3457 -3 1 0 2 26.68 5.91 3.3411 3 1 0 2 27.21 11.55 3.2778 -2 2 0 2 27.26 11.35 3.2720 2 2 0 2 28.80 3.73 3.1000 3 0 1 2 29.27 3.54 3.0515 -3 0 1 2 30.41 20.10 2.9390 3 -1 1 2 30.56 100.00 2.9253 2 -2 1 2 30.89 16.82 2.8946 -3 -1 1 2 30.90 95.93 2.8938 -2 -2 1 2 31.30 3.81 2.8579 3 1 1 2 31.66 39.09 2.8257 0 0 2 2 31.70 2.92 2.8226 -3 1 1 2 32.28 55.99 2.7733 2 2 1 2 32.52 56.60 2.7533 -2 2 1 2 32.57 3.74 2.7493 4 0 0 2 32.58 2.04 2.7483 1 0 2 2 32.83 6.44 2.7284 -3 2 0 2 32.86 1.63 2.7255 -1 0 2 2 32.89 5.99 2.7233 3 2 0 2 33.65 2.36 2.6633 1 -1 2 2 33.93 1.42 2.6418 -1 -1 2 2 33.96 1.25 2.6396 -1 3 0 2 33.99 1.45 2.6373 1 3 0 2 34.35 4.03 2.6109 0 1 2 2 36.08 5.71 2.4893 4 0 1 2 36.59 4.35 2.4557 -4 0 1 2 37.41 3.45 2.4039 4 -1 1 2 37.94 3.93 2.3714 -4 -1 1 2 38.14 1.59 2.3593 1 -2 2 2 38.16 3.63 2.3583 4 1 1 2 38.41 1.48 2.3438 -1 -2 2 2 38.61 3.18 2.3318 -4 1 1 2 39.50 1.10 2.2814 -4 2 0 2 39.57 1.28 2.2775 4 2 0 2 40.84 1.15 2.2096 3 -1 2 2 40.91 11.83 2.2061 1 2 2 2 41.12 13.02 2.1951 -1 2 2 2 41.32 2.91 2.1852 -3 3 0 2 41.39 2.94 2.1813 3 3 0 2 42.55 8.07 2.1245 -5 1 0 2 42.59 8.14 2.1226 5 1 0 2 43.32 2.03 2.0885 2 2 2 2 43.34 1.00 2.0877 3 -3 1 2 43.73 1.31 2.0701 -2 2 2 2 43.74 1.03 2.0694 -3 -3 1 2 44.44 14.09 2.0384 0 4 0 2 44.51 9.44 2.0354 0 -3 2 2 45.19 3.98 2.0064 1 -3 2 2 45.29 1.49 2.0023 3 3 1 2 45.43 4.72 1.9965 -1 -3 2 2 45.54 1.39 1.9920 -3 3 1 2 45.64 30.46 1.9878 4 0 2 2 45.70 2.12 1.9854 5 1 1 2 46.19 2.15 1.9655 -5 1 1 2 46.44 13.72 1.9553 4 -1 2 2 46.48 29.33 1.9537 -4 0 2 2 46.90 3.72 1.9372 -5 2 0 2 46.92 4.32 1.9364 1 -4 1 2 46.97 24.61 1.9346 -4 3 0 2 46.98 3.86 1.9342 5 2 0 2 47.06 4.57 1.9312 -1 -4 1 2 47.06 25.09 1.9311 4 3 0 2 47.30 12.41 1.9217 -4 -1 2 2 47.41 2.17 1.9175 2 -3 2 2 47.66 1.68 1.9079 4 1 2 2 47.87 2.31 1.9003 -2 -3 2 2 48.14 30.48 1.8903 0 3 2 2 48.45 1.91 1.8789 -4 1 2 2 48.75 1.54 1.8678 4 -3 1 2 49.25 1.46 1.8503 -4 -3 1 2 49.30 3.57 1.8484 1 4 1 2 49.37 3.59 1.8460 -1 4 1 2 52.69 2.04 1.7371 3 -4 1 2 52.98 4.68 1.7282 5 -1 2 2 53.06 2.23 1.7259 -3 -4 1 2 53.11 11.42 1.7245 2 1 3 2 53.19 3.54 1.7220 6 -1 1 2 53.45 27.18 1.7144 0 -4 2 2 53.55 5.11 1.7113 -5 3 0 2 53.66 4.76 1.7082 5 3 0 2 53.66 10.79 1.7080 -2 1 3 2 53.78 4.41 1.7046 6 1 1 2 53.80 3.40 1.7040 -6 -1 1 2 53.96 4.54 1.6992 -5 -1 2 2 54.11 3.58 1.6950 5 1 2 2 54.30 3.90 1.6896 -6 1 1 2 54.37 1.81 1.6874 3 0 3 2 54.46 12.43 1.6848 2 -2 3 2 54.81 2.76 1.6748 3 -1 3 2 54.94 3.56 1.6712 3 4 1 2 55.00 3.55 1.6695 -5 1 2 2 55.04 12.77 1.6683 -2 -2 3 2 55.14 4.37 1.6658 -3 4 1 2 55.20 1.89 1.6639 -3 0 3 2 55.66 2.92 1.6513 -3 -1 3 2 56.12 5.89 1.6389 -4 4 0 2 56.23 5.53 1.6360 4 4 0 2 56.66 1.99 1.6246 6 -2 1 2 57.28 1.77 1.6084 -6 -2 1 2 57.44 1.20 1.6042 4 -4 1 2 57.65 3.23 1.5990 2 2 3 2 57.69 5.36 1.5981 0 4 2 2 57.78 2.13 1.5957 6 2 1 2 58.16 3.56 1.5862 -2 2 3 2 58.23 2.07 1.5843 -6 2 1 2 58.35 1.29 1.5815 5 2 2 2 59.02 1.85 1.5652 4 3 2 2 59.12 1.00 1.5626 2 5 0 2 59.17 1.28 1.5616 -5 2 2 2 59.64 1.48 1.5502 -4 3 2 2 60.17 2.87 1.5378 2 -5 1 2 60.41 2.98 1.5323 -2 -5 1 2 61.66 1.70 1.5043 5 -3 2 2 61.83 3.31 1.5005 7 -1 1 2 62.37 3.41 1.4889 7 1 1 2 62.47 3.51 1.4866 -7 -1 1 2 62.61 1.45 1.4837 -5 -3 2 2 62.73 5.43 1.4812 2 5 1 2 62.83 5.29 1.4790 -2 5 1 2 62.92 4.12 1.4771 -7 1 1 2 63.62 1.22 1.4626 4 -4 2 2 64.39 1.03 1.4469 -4 -4 2 2 66.05 1.07 1.4146 7 2 1 2 66.14 7.77 1.4129 0 0 4 2 66.30 8.91 1.4098 0 -1 4 2 68.22 2.22 1.3747 8 0 0 2 68.99 1.12 1.3612 3 -5 2 2 69.30 2.47 1.3559 -8 1 0 2 69.35 2.40 1.3551 8 1 0 2 69.57 1.11 1.3514 -3 -5 2 2 69.71 3.07 1.3490 -1 6 0 2 69.74 2.83 1.3484 1 6 0 2 70.28 1.25 1.3393 7 -3 1 2 70.80 1.31 1.3308 2 5 2 2 70.97 1.28 1.3281 -7 -3 1 2 71.06 1.38 1.3266 -2 5 2 2 71.14 1.20 1.3253 7 -2 2 2 72.27 1.79 1.3074 2 -6 1 2 72.50 1.73 1.3038 -2 -6 1 2 72.93 1.04 1.2971 6 1 3 2 73.69 1.60 1.2856 3 5 2 2 74.03 1.53 1.2805 6 -2 3 2 74.08 1.54 1.2799 -3 5 2 2 75.51 1.28 1.2590 3 4 3 2 76.15 1.47 1.2501 -3 4 3 2 76.81 1.07 1.2410 6 2 3 2 78.59 2.20 1.2173 0 3 4 2 78.84 1.11 1.2140 3 -5 3 2 78.97 1.30 1.2123 7 -1 3 2 79.19 1.03 1.2095 6 4 2 2 79.25 1.94 1.2088 6 -5 1 2 79.62 1.04 1.2041 -3 -5 3 2 79.66 1.75 1.2036 0 -4 4 2 79.89 1.81 1.2008 -6 -5 1 2 80.35 1.31 1.1950 7 1 3 2 80.63 1.21 1.1916 -7 -1 3 2 81.92 1.24 1.1761 -7 1 3 2 82.82 2.73 1.1656 2 5 3 2 82.88 1.92 1.1648 0 7 0 2 83.22 2.45 1.1610 -2 5 3 2 84.50 2.29 1.1466 8 -3 2 2 85.85 2.40 1.1320 -8 -3 2 2 86.01 1.08 1.1303 5 2 4 2 86.58 1.30 1.1243 7 -5 1 2 86.70 1.23 1.1231 5 -3 4 2 86.83 1.94 1.1217 2 -6 3 2 87.10 2.72 1.1189 4 3 4 2 87.26 1.53 1.1172 8 3 2 2 87.35 1.71 1.1163 -2 -6 3 2 87.47 1.12 1.1151 -5 2 4 2 88.08 2.65 1.1090 4 -4 4 2 88.14 1.07 1.1084 -9 -1 2 2 88.24 2.48 1.1074 -4 3 4 2 88.30 1.27 1.1068 -5 -3 4 2 88.34 1.49 1.1064 -8 3 2 2 89.38 2.25 1.0962 -4 -4 4 2 89.79 1.64 1.0923 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.