Sursassite Nagashima M, Akasaka M, Minakawa T, Libowitzky E, Armbruster T American Mineralogist 94 (2009) 1440-1449 Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth Locality: Molinello, Italy Sample Number: 5 _database_code_amcsd 0004990 CELL PARAMETERS: 8.6982 5.7887 9.7777 90.000 108.918 90.000 SPACE GROUP: P2_1/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 465.726 Density (g/cm3): 3.580 MAX. ABS. INTENSITY / VOLUME**2: 9.385610892 RIR: 0.854 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.56 1.57 9.2495 0 0 1 2 18.72 2.52 4.7413 -1 0 2 2 19.19 1.64 4.6248 0 0 2 2 19.40 48.78 4.5748 -1 1 1 4 20.59 15.61 4.3142 -2 0 1 2 21.60 11.01 4.1142 2 0 0 2 23.84 32.87 3.7332 -2 0 2 2 24.27 5.24 3.6680 -1 1 2 4 24.96 3.20 3.5677 1 0 2 2 26.41 7.02 3.3747 2 0 1 2 27.40 1.31 3.2546 -1 0 3 2 28.45 4.42 3.1373 -2 1 2 4 29.41 7.16 3.0372 1 1 2 4 30.06 2.74 2.9728 -2 0 3 2 30.67 3.92 2.9154 2 1 1 4 30.85 18.71 2.8982 -3 0 1 2 30.89 30.66 2.8944 0 2 0 2 31.54 100.00 2.8370 -1 1 3 4 32.09 6.31 2.7890 -3 0 2 2 32.41 9.32 2.7623 0 2 1 4 32.65 5.56 2.7428 3 0 0 2 32.80 9.01 2.7304 1 2 0 4 33.20 6.06 2.6987 -1 2 1 4 33.52 35.68 2.6734 2 0 2 2 33.90 4.00 2.6444 -2 1 3 4 34.21 1.14 2.6214 1 0 3 2 34.61 45.29 2.5915 -3 1 1 4 35.26 4.62 2.5454 1 2 1 4 35.74 1.89 2.5125 -3 1 2 4 36.24 1.53 2.4786 3 1 0 4 36.37 1.60 2.4704 -1 2 2 4 36.63 32.96 2.4535 0 2 2 4 37.04 5.50 2.4271 2 1 2 4 37.42 8.42 2.4035 -2 2 1 4 37.67 34.58 2.3879 1 1 3 4 38.01 5.99 2.3672 2 2 0 4 39.39 13.58 2.2874 -2 2 2 4 39.41 19.38 2.2864 -3 1 3 4 40.08 2.87 2.2499 -1 1 4 4 40.34 4.16 2.2360 3 1 1 4 41.08 3.96 2.1970 2 2 1 4 41.76 1.12 2.1628 -1 2 3 4 41.78 11.02 2.1621 -4 0 1 2 41.88 3.32 2.1571 -4 0 2 2 41.93 15.89 2.1547 2 0 3 2 42.86 19.15 2.1102 0 2 3 4 43.65 22.82 2.0738 -2 2 3 4 44.02 5.41 2.0571 4 0 0 2 44.23 6.60 2.0480 -3 2 1 4 44.74 4.76 2.0254 -4 1 1 4 44.84 2.15 2.0213 -4 1 2 4 44.89 2.40 2.0193 2 1 3 4 45.11 4.19 2.0099 -3 1 4 4 45.56 1.26 1.9909 3 2 0 4 46.23 10.63 1.9639 2 2 2 4 46.35 2.49 1.9587 3 1 2 4 47.15 1.35 1.9277 -4 1 3 4 48.34 3.70 1.8828 4 0 1 2 48.46 1.53 1.8786 1 3 0 4 48.74 4.31 1.8682 -1 3 1 4 49.26 1.19 1.8499 0 0 5 2 49.44 3.41 1.8436 -1 1 5 4 49.71 2.01 1.8340 -2 2 4 4 50.52 11.16 1.8066 0 2 4 4 51.01 3.79 1.7905 4 1 1 4 51.11 1.11 1.7872 -1 3 2 4 51.44 7.76 1.7765 -4 1 4 4 53.99 1.08 1.6985 -5 0 3 2 54.28 1.54 1.6899 3 2 2 4 54.74 4.66 1.6767 4 2 0 4 54.95 3.49 1.6710 -4 0 5 2 55.35 11.22 1.6598 -1 3 3 4 55.78 4.69 1.6481 -5 1 1 4 56.55 7.14 1.6273 -2 0 6 2 56.70 7.59 1.6234 1 1 5 4 56.84 6.55 1.6199 4 1 2 4 57.22 1.90 1.6098 -5 0 4 2 57.37 11.75 1.6061 -3 3 1 4 57.40 2.18 1.6055 -4 1 5 4 58.87 38.89 1.5687 -4 2 4 4 59.04 1.62 1.5646 2 3 2 4 59.28 3.69 1.5587 0 2 5 4 59.48 4.68 1.5540 1 3 3 4 60.01 13.25 1.5416 0 0 6 2 60.12 1.53 1.5390 3 0 4 2 60.23 2.19 1.5366 5 0 1 2 60.73 3.18 1.5249 -3 3 3 4 61.02 11.14 1.5186 2 2 4 4 61.24 1.34 1.5136 2 0 5 2 61.41 1.77 1.5097 3 3 1 4 61.80 1.63 1.5012 4 0 3 2 62.30 1.76 1.4904 -5 2 2 4 62.48 6.08 1.4864 -4 0 6 2 62.87 4.73 1.4781 -5 2 1 4 63.73 2.32 1.4603 1 2 5 4 63.86 21.31 1.4577 4 2 2 4 64.38 24.12 1.4472 0 4 0 2 65.84 11.52 1.4185 -2 2 6 4 66.52 1.51 1.4057 -6 1 2 4 67.00 1.03 1.3968 -2 0 7 2 67.12 2.91 1.3945 -6 0 4 2 69.31 1.65 1.3557 -6 1 4 4 69.69 1.97 1.3493 -2 4 2 4 69.79 1.31 1.3476 4 3 1 4 69.95 1.24 1.3448 3 0 5 2 70.15 2.81 1.3416 -4 3 4 4 70.22 1.20 1.3404 -3 1 7 4 70.44 3.43 1.3367 4 0 4 2 70.69 1.52 1.3326 4 2 3 4 72.10 3.10 1.3099 3 1 5 4 73.02 3.22 1.2958 -6 2 2 4 73.09 2.42 1.2947 -3 4 1 4 73.82 3.16 1.2836 -5 3 1 4 74.16 5.05 1.2786 -6 2 1 4 74.57 6.04 1.2727 2 4 2 4 74.62 3.11 1.2719 1 3 5 4 74.74 2.64 1.2702 4 3 2 4 75.71 2.49 1.2563 -6 2 4 4 76.93 1.14 1.2393 6 2 0 4 77.12 1.14 1.2367 -5 2 6 4 78.31 3.98 1.2209 -2 0 8 2 78.50 2.99 1.2184 -5 1 7 4 78.74 1.01 1.2154 1 1 7 4 79.79 3.06 1.2020 0 2 7 4 79.81 1.14 1.2018 -4 4 2 4 79.84 2.03 1.2014 2 4 3 4 81.28 1.32 1.1836 4 4 0 4 84.67 2.25 1.1447 -5 2 7 4 86.85 1.13 1.1215 7 0 1 2 88.65 2.17 1.1033 3 3 5 4 89.61 1.09 1.0939 -4 4 5 4 89.71 2.08 1.0930 -7 2 5 4 89.94 4.30 1.0908 -1 5 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.