Sulfoborite Giese R F, Penna G American Mineralogist 68 (1983) 255-261 The crystal structure of sulfoborite, Mg3SO4(B(OH)4)2(OH)F _database_code_amcsd 0000890 CELL PARAMETERS: 10.1320 12.5370 7.7750 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 987.618 Density (g/cm3): 2.439 MAX. ABS. INTENSITY / VOLUME**2: 3.955118920 RIR: 0.528 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.40 5.81 6.6075 0 1 1 4 14.13 9.98 6.2685 0 2 0 2 16.01 73.57 5.5346 1 1 1 8 17.51 16.37 5.0660 2 0 0 2 18.89 4.17 4.6970 2 1 0 4 20.20 44.22 4.3966 1 2 1 8 20.93 15.28 4.2445 2 0 1 4 22.57 59.62 3.9401 2 2 0 4 24.18 37.73 3.6810 0 3 1 4 24.53 9.39 3.6295 1 0 2 4 25.34 4.43 3.5146 2 2 1 8 25.55 50.97 3.4864 1 1 2 8 25.75 22.21 3.4597 1 3 1 8 27.67 2.51 3.2237 2 3 0 4 28.42 25.31 3.1410 1 2 2 8 28.48 25.09 3.1342 0 4 0 2 28.82 100.00 3.0977 3 0 1 4 28.95 13.83 3.0841 2 0 2 4 29.83 17.78 2.9948 2 1 2 8 30.01 37.21 2.9779 2 3 1 8 32.03 1.44 2.7942 1 4 1 8 32.23 3.92 2.7771 3 2 1 8 32.35 5.22 2.7673 2 2 2 8 32.68 26.00 2.7403 1 3 2 8 33.62 5.01 2.6654 2 4 0 4 35.37 17.60 2.5380 0 1 3 4 35.44 1.48 2.5330 4 0 0 2 35.61 18.66 2.5213 2 4 1 8 35.76 2.46 2.5108 1 0 3 4 35.95 20.54 2.4984 3 1 2 8 36.09 1.56 2.4886 3 3 1 8 36.18 1.08 2.4828 4 1 0 4 36.84 13.43 2.4400 0 4 2 4 37.70 5.31 2.3864 0 5 1 4 37.93 13.56 2.3722 1 4 2 8 38.33 20.01 2.3485 4 2 0 4 38.77 11.14 2.3228 1 5 1 8 39.72 2.55 2.2692 2 1 3 8 40.11 5.15 2.2482 4 2 1 8 40.13 11.44 2.2472 2 5 0 4 40.96 9.08 2.2032 3 4 1 8 40.98 5.12 2.2025 0 3 3 4 41.49 6.73 2.1765 3 3 2 8 41.70 6.25 2.1662 4 3 0 4 41.71 9.89 2.1653 2 2 3 8 41.84 4.76 2.1588 2 5 1 8 42.60 2.28 2.1222 4 0 2 4 43.24 2.78 2.0925 4 1 2 8 43.30 6.89 2.0895 0 6 0 2 43.36 2.84 2.0867 4 3 1 8 43.89 11.44 2.0630 1 5 2 8 44.04 45.01 2.0561 3 0 3 4 44.66 2.88 2.0290 3 1 3 8 45.85 7.16 1.9790 1 6 1 8 46.33 2.45 1.9596 1 4 3 8 46.69 1.61 1.9455 2 5 2 8 46.73 10.71 1.9438 0 0 4 2 47.62 25.54 1.9097 4 4 1 8 47.64 3.19 1.9089 1 0 4 4 48.08 16.90 1.8922 4 3 2 8 49.03 2.35 1.8581 2 4 3 8 49.53 1.90 1.8405 0 6 2 4 50.37 5.26 1.8115 4 0 3 4 50.39 6.78 1.8109 1 6 2 8 50.93 1.30 1.7929 4 1 3 8 51.09 4.12 1.7877 3 5 2 8 51.27 2.22 1.7820 4 5 0 4 52.04 1.40 1.7573 4 4 2 8 52.50 9.29 1.7432 2 2 4 8 52.59 3.71 1.7403 4 2 3 8 52.85 7.11 1.7323 3 6 1 8 52.93 4.58 1.7299 2 6 2 8 53.01 1.91 1.7274 5 2 2 8 53.26 2.23 1.7200 1 7 1 8 54.33 4.78 1.6887 6 0 0 2 54.33 2.24 1.6886 2 7 0 4 55.00 1.06 1.6697 3 1 4 8 55.18 5.62 1.6646 2 3 4 8 55.27 4.79 1.6621 4 3 3 8 55.64 11.25 1.6519 0 4 4 4 55.68 1.80 1.6508 5 3 2 8 55.70 1.69 1.6502 6 0 1 4 56.22 3.13 1.6361 6 1 1 8 56.84 20.70 1.6199 4 5 2 8 57.37 2.05 1.6061 1 7 2 8 57.37 5.60 1.6061 1 6 3 8 57.75 1.89 1.5964 5 0 3 4 58.80 6.66 1.5705 2 4 4 8 58.88 4.63 1.5684 4 4 3 8 58.94 16.22 1.5671 0 8 0 2 59.70 17.63 1.5489 6 0 2 4 59.70 4.38 1.5488 2 7 2 8 59.99 2.77 1.5420 4 0 4 4 60.20 3.20 1.5372 6 1 2 8 60.30 2.21 1.5349 6 3 1 8 60.49 1.95 1.5305 4 1 4 8 60.71 1.41 1.5256 1 1 5 8 62.36 3.03 1.4889 4 6 2 8 62.47 2.09 1.4866 6 4 0 4 62.48 1.34 1.4865 2 0 5 4 63.25 1.69 1.4701 2 8 1 8 63.26 4.46 1.4701 2 5 4 8 63.48 3.63 1.4655 3 7 2 8 63.48 1.37 1.4655 3 6 3 8 63.87 1.51 1.4574 0 3 5 4 64.06 2.09 1.4535 0 8 2 4 64.41 4.43 1.4464 2 2 5 8 64.61 1.94 1.4425 1 3 5 8 65.25 1.64 1.4299 5 6 1 8 65.63 4.88 1.4225 5 4 3 8 66.03 1.66 1.4148 6 0 3 4 66.08 2.48 1.4139 7 1 1 8 66.79 1.33 1.4006 2 3 5 8 66.98 1.49 1.3971 2 8 2 8 67.45 1.92 1.3886 6 4 2 8 67.50 1.60 1.3877 7 2 1 8 67.72 1.43 1.3836 4 4 4 8 68.48 10.56 1.3701 2 6 4 8 68.56 2.43 1.3687 4 6 3 8 68.92 1.37 1.3624 5 6 2 8 69.73 1.52 1.3486 7 1 2 8 70.06 2.66 1.3431 2 4 5 8 70.24 3.19 1.3401 6 3 3 8 71.15 1.04 1.3252 4 0 5 4 71.89 1.26 1.3134 6 6 0 4 72.07 1.32 1.3104 1 5 5 8 72.71 2.28 1.3005 1 9 2 8 72.98 1.68 1.2964 2 8 3 8 73.39 1.54 1.2902 7 3 2 8 73.55 4.15 1.2877 3 4 5 8 74.16 1.07 1.2787 1 1 6 8 74.85 1.11 1.2685 5 6 3 8 75.77 1.16 1.2554 2 0 6 4 76.42 2.23 1.2464 3 8 3 8 76.60 1.73 1.2439 8 1 1 8 76.83 3.66 1.2407 4 6 4 8 77.02 2.30 1.2381 1 6 5 8 77.06 1.84 1.2376 7 5 1 8 77.46 1.89 1.2322 6 5 3 8 77.73 1.53 1.2286 1 10 1 8 77.85 1.32 1.2270 0 9 3 4 77.93 3.24 1.2259 8 2 1 8 78.61 1.85 1.2170 2 10 0 4 79.05 3.34 1.2113 2 6 5 8 79.12 1.29 1.2104 5 2 5 8 80.55 1.08 1.1925 2 9 3 8 81.15 1.40 1.1852 4 8 3 8 81.51 1.68 1.1808 6 4 4 8 82.55 1.60 1.1686 4 7 4 8 86.26 1.01 1.1277 0 11 1 4 86.60 1.73 1.1241 8 4 2 8 86.65 1.26 1.1236 4 10 0 4 87.57 1.40 1.1142 9 0 1 4 87.57 1.44 1.1141 7 7 1 8 88.65 1.17 1.1033 6 3 5 8 88.82 2.06 1.1016 6 8 2 8 89.20 1.10 1.0979 8 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.