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: Gambatesa, Italy Sample Number: 7 _database_code_amcsd 0004992 CELL PARAMETERS: 8.7150 5.7981 9.7980 90.000 108.879 90.000 SPACE GROUP: P2_1/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 468.463 Density (g/cm3): 3.552 MAX. ABS. INTENSITY / VOLUME**2: 9.099817806 RIR: 0.834 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.54 1.92 9.2709 0 0 1 2 18.68 1.81 4.7503 -1 0 2 2 19.15 1.25 4.6355 0 0 2 2 19.37 51.27 4.5824 -1 1 1 4 20.55 17.74 4.3222 -2 0 1 2 21.55 9.42 4.1231 2 0 0 2 23.79 32.77 3.7397 -2 0 2 2 24.22 5.28 3.6746 -1 1 2 4 24.90 2.83 3.5766 1 0 2 2 26.35 7.02 3.3828 2 0 1 2 27.35 1.41 3.2612 -1 0 3 2 28.40 4.49 3.1427 -2 1 2 4 29.34 7.49 3.0440 1 1 2 4 30.00 3.23 2.9782 -2 0 3 2 30.60 4.75 2.9218 2 1 1 4 30.79 19.29 2.9038 -3 0 1 2 30.84 30.85 2.8990 0 2 0 2 31.47 100.00 2.8425 -1 1 3 4 32.03 6.21 2.7940 -3 0 2 2 32.36 9.79 2.7669 0 2 1 4 32.58 6.23 2.7487 3 0 0 2 32.74 8.31 2.7350 1 2 0 4 33.14 6.47 2.7031 -1 2 1 4 33.43 35.81 2.6801 2 0 2 2 33.84 4.53 2.6491 -2 1 3 4 34.12 1.12 2.6278 1 0 3 2 34.55 50.30 2.5964 -3 1 1 4 35.19 4.65 2.5500 1 2 1 4 35.67 2.26 2.5170 -3 1 2 4 36.16 1.44 2.4838 3 1 0 4 36.30 1.89 2.4746 -1 2 2 4 36.56 35.32 2.4579 0 2 2 4 36.95 5.24 2.4327 2 1 2 4 37.35 8.07 2.4076 -2 2 1 4 37.58 35.49 2.3935 1 1 3 4 37.94 5.52 2.3715 2 2 0 4 39.32 14.10 2.2912 -2 2 2 4 39.34 19.24 2.2904 -3 1 3 4 39.99 2.85 2.2545 -1 1 4 4 40.24 5.00 2.2409 3 1 1 4 41.00 3.94 2.2013 2 2 1 4 41.68 1.05 2.1667 -1 2 3 4 41.69 11.92 2.1664 -4 0 1 2 41.80 3.54 2.1611 -4 0 2 2 41.82 16.20 2.1600 2 0 3 2 42.77 19.37 2.1143 0 2 3 4 43.57 23.01 2.0773 -2 2 3 4 43.92 5.49 2.0615 4 0 0 2 44.14 6.46 2.0516 -3 2 1 4 44.23 1.05 2.0480 -4 0 3 2 44.65 4.35 2.0294 -4 1 1 4 44.75 2.04 2.0250 -4 1 2 4 44.77 2.19 2.0241 2 1 3 4 45.03 4.78 2.0134 -3 1 4 4 45.47 1.30 1.9947 3 2 0 4 46.13 11.01 1.9680 2 2 2 4 46.24 2.79 1.9633 3 1 2 4 47.06 1.25 1.9310 -4 1 3 4 48.22 4.25 1.8872 4 0 1 2 48.37 1.47 1.8817 1 3 0 4 48.66 4.44 1.8712 -1 3 1 4 49.14 1.35 1.8542 0 0 5 2 49.33 3.38 1.8474 -1 1 5 4 49.62 1.99 1.8373 -2 2 4 4 50.41 11.09 1.8103 0 2 4 4 50.88 3.70 1.7945 4 1 1 4 51.02 1.18 1.7902 -1 3 2 4 51.34 7.64 1.7796 -4 1 4 4 53.88 1.05 1.7016 -5 0 3 2 54.16 1.62 1.6935 3 2 2 4 54.63 4.86 1.6801 4 2 0 4 54.84 3.70 1.6740 -4 0 5 2 55.25 11.21 1.6627 -1 3 3 4 55.66 4.99 1.6514 -5 1 1 4 56.43 7.26 1.6306 -2 0 6 2 56.56 7.93 1.6273 1 1 5 4 56.69 6.50 1.6237 4 1 2 4 57.11 1.81 1.6127 -5 0 4 2 57.26 12.75 1.6089 -3 3 1 4 57.28 2.14 1.6083 -4 1 5 4 58.76 40.94 1.5714 -4 2 4 4 58.92 1.55 1.5676 2 3 2 4 59.15 3.83 1.5620 0 2 5 4 59.36 4.76 1.5569 1 3 3 4 59.86 13.73 1.5452 0 0 6 2 59.96 1.63 1.5429 3 0 4 2 60.08 2.05 1.5401 5 0 1 2 60.62 3.14 1.5275 -3 3 3 4 60.86 11.55 1.5220 2 2 4 4 61.07 1.41 1.5173 2 0 5 2 61.29 2.06 1.5126 3 3 1 4 61.63 1.59 1.5048 4 0 3 2 62.17 1.75 1.4932 -5 2 2 4 62.36 6.34 1.4891 -4 0 6 2 62.74 4.40 1.4810 -5 2 1 4 63.57 2.29 1.4635 1 2 5 4 63.70 22.54 1.4609 4 2 2 4 64.26 24.64 1.4495 0 4 0 2 65.70 11.54 1.4212 -2 2 6 4 66.37 1.59 1.4084 -6 1 2 4 66.84 1.02 1.3997 -2 0 7 2 66.99 3.05 1.3970 -6 0 4 2 69.17 1.51 1.3581 -6 1 4 4 69.56 1.97 1.3515 -2 4 2 4 69.63 1.28 1.3502 4 3 1 4 69.76 1.20 1.3482 3 0 5 2 70.01 2.75 1.3439 -4 3 4 4 70.06 1.30 1.3430 -3 1 7 4 70.24 3.84 1.3400 4 0 4 2 70.51 1.43 1.3356 4 2 3 4 71.90 3.30 1.3131 3 1 5 4 72.86 3.49 1.2982 -6 2 2 4 72.94 2.44 1.2969 -3 4 1 4 73.66 3.37 1.2860 -5 3 1 4 73.99 5.07 1.2812 -6 2 1 4 74.41 6.18 1.2750 2 4 2 4 74.44 3.26 1.2745 1 3 5 4 74.56 2.58 1.2728 4 3 2 4 75.55 2.68 1.2585 -6 2 4 4 76.74 1.13 1.2419 6 2 0 4 76.96 1.07 1.2389 -5 2 6 4 78.11 4.08 1.2235 -2 0 8 2 78.34 3.16 1.2206 -5 1 7 4 78.52 1.09 1.2182 1 1 7 4 79.58 3.13 1.2047 0 2 7 4 79.64 1.23 1.2038 -4 4 2 4 79.66 2.07 1.2036 2 4 3 4 81.11 1.32 1.1858 4 4 0 4 84.49 2.17 1.1467 -5 2 7 4 86.61 1.13 1.1240 7 0 1 2 88.41 2.33 1.1057 3 3 5 4 89.42 1.16 1.0958 -4 4 5 4 89.51 2.18 1.0949 -7 2 5 4 89.75 4.41 1.0926 -1 5 3 4 89.88 1.15 1.0914 7 2 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.