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: Kamogawa, Japan Sample Number: 4 _database_code_amcsd 0004989 CELL PARAMETERS: 8.7065 5.7978 9.7946 90.000 108.938 90.000 SPACE GROUP: P2_1/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 467.655 Density (g/cm3): 3.565 MAX. ABS. INTENSITY / VOLUME**2: 9.270675030 RIR: 0.847 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.55 1.08 9.2644 0 0 1 2 18.68 1.57 4.7493 -1 0 2 2 19.16 1.53 4.6322 0 0 2 2 19.37 50.18 4.5817 -1 1 1 4 20.57 16.55 4.3187 -2 0 1 2 21.58 9.93 4.1176 2 0 0 2 23.80 30.71 3.7384 -2 0 2 2 24.22 4.77 3.6740 -1 1 2 4 24.93 2.70 3.5722 1 0 2 2 25.72 1.09 3.4634 -2 1 1 4 26.39 6.22 3.3778 2 0 1 2 27.36 1.03 3.2602 -1 0 3 2 28.41 4.16 3.1419 -2 1 2 4 29.37 7.56 3.0413 1 1 2 4 30.01 2.92 2.9775 -2 0 3 2 30.63 4.37 2.9186 2 1 1 4 30.82 18.00 2.9009 -3 0 1 2 30.85 31.00 2.8989 0 2 0 2 31.48 100.00 2.8418 -1 1 3 4 32.05 6.31 2.7922 -3 0 2 2 32.36 9.06 2.7666 0 2 1 4 32.62 5.49 2.7451 3 0 0 2 32.75 8.08 2.7344 1 2 0 4 33.14 5.96 2.7029 -1 2 1 4 33.48 35.91 2.6763 2 0 2 2 33.84 3.63 2.6487 -2 1 3 4 34.57 49.04 2.5943 -3 1 1 4 35.21 4.34 2.5491 1 2 1 4 35.69 2.72 2.5157 -3 1 2 4 36.21 1.32 2.4810 3 1 0 4 36.31 1.89 2.4744 -1 2 2 4 36.57 33.75 2.4574 0 2 2 4 37.00 5.04 2.4299 2 1 2 4 37.36 8.34 2.4069 -2 2 1 4 37.61 35.13 2.3913 1 1 3 4 37.96 5.63 2.3704 2 2 0 4 39.33 14.49 2.2908 -2 2 2 4 39.35 19.23 2.2897 -3 1 3 4 40.01 2.89 2.2537 -1 1 4 4 40.30 5.05 2.2381 3 1 1 4 41.03 3.46 2.1998 2 2 1 4 41.69 1.39 2.1664 -1 2 3 4 41.74 12.73 2.1640 -4 0 1 2 41.83 4.12 2.1593 -4 0 2 2 41.88 16.44 2.1572 2 0 3 2 42.78 19.26 2.1136 0 2 3 4 43.57 22.88 2.0771 -2 2 3 4 43.98 5.26 2.0588 4 0 0 2 44.17 5.45 2.0505 -3 2 1 4 44.70 3.91 2.0274 -4 1 1 4 44.79 1.97 2.0236 -4 1 2 4 44.83 2.06 2.0218 2 1 3 4 45.04 4.61 2.0130 -3 1 4 4 46.16 11.16 1.9664 2 2 2 4 46.30 2.74 1.9608 3 1 2 4 48.30 4.49 1.8844 4 0 1 2 48.38 1.59 1.8815 1 3 0 4 48.66 4.47 1.8711 -1 3 1 4 49.17 1.29 1.8529 0 0 5 2 49.35 3.20 1.8467 -1 1 5 4 49.63 1.74 1.8370 -2 2 4 4 49.63 1.01 1.8369 -3 0 5 2 50.43 10.94 1.8095 0 2 4 4 50.96 3.54 1.7921 4 1 1 4 51.02 1.11 1.7901 -1 3 2 4 51.36 6.63 1.7790 -4 1 4 4 52.79 1.03 1.7341 -4 2 1 4 54.21 1.52 1.6919 3 2 2 4 54.68 4.94 1.6786 4 2 0 4 54.86 3.82 1.6736 -4 0 5 2 55.25 11.19 1.6625 -1 3 3 4 55.72 5.59 1.6496 -5 1 1 4 56.45 7.21 1.6301 -2 0 6 2 56.61 7.82 1.6258 1 1 5 4 56.78 5.79 1.6215 4 1 2 4 57.15 1.53 1.6119 -5 0 4 2 57.28 12.67 1.6084 -3 3 1 4 57.30 2.09 1.6079 -4 1 5 4 58.78 41.89 1.5709 -4 2 4 4 58.95 1.47 1.5668 2 3 2 4 59.18 3.80 1.5612 0 2 5 4 59.39 4.71 1.5563 1 3 3 4 59.90 13.48 1.5441 0 0 6 2 60.04 1.62 1.5408 3 0 4 2 60.17 1.99 1.5379 5 0 1 2 60.63 3.12 1.5272 -3 3 3 4 60.92 11.29 1.5207 2 2 4 4 61.15 1.43 1.5156 2 0 5 2 61.33 2.06 1.5116 3 3 1 4 61.73 1.47 1.5027 4 0 3 2 62.22 1.52 1.4921 -5 2 2 4 62.37 6.13 1.4888 -4 0 6 2 62.80 3.80 1.4797 -5 2 1 4 63.62 2.16 1.4625 1 2 5 4 63.78 23.08 1.4593 4 2 2 4 64.26 24.33 1.4495 0 4 0 2 65.72 11.60 1.4209 -2 2 6 4 66.44 1.42 1.4071 -6 1 2 4 67.04 3.14 1.3961 -6 0 4 2 69.22 1.27 1.3573 -6 1 4 4 69.56 1.88 1.3514 -2 4 2 4 69.69 1.21 1.3492 4 3 1 4 69.86 1.15 1.3464 3 0 5 2 70.03 2.42 1.3436 -4 3 4 4 70.08 1.40 1.3427 -3 1 7 4 70.35 3.89 1.3381 4 0 4 2 70.60 1.37 1.3341 4 2 3 4 72.00 3.38 1.3115 3 1 5 4 72.93 3.66 1.2971 -6 2 2 4 72.96 2.28 1.2966 -3 4 1 4 73.72 3.65 1.2851 -5 3 1 4 74.07 4.84 1.2799 -6 2 1 4 74.44 6.19 1.2745 2 4 2 4 74.49 3.22 1.2738 1 3 5 4 74.63 2.28 1.2717 4 3 2 4 75.60 2.84 1.2578 -6 2 4 4 76.84 1.01 1.2405 6 2 0 4 78.15 3.99 1.2230 -2 0 8 2 78.36 3.44 1.2203 -5 1 7 4 78.60 1.07 1.2172 1 1 7 4 79.61 1.04 1.2043 -4 4 1 4 79.63 3.00 1.2039 0 2 7 4 79.67 1.34 1.2035 -4 4 2 4 79.70 2.11 1.2031 2 4 3 4 81.15 1.28 1.1852 4 4 0 4 84.51 1.88 1.1465 -5 2 7 4 86.69 1.06 1.1232 -3 3 7 4 88.50 2.37 1.1048 3 3 5 4 89.44 1.20 1.0956 -4 4 5 4 89.57 2.11 1.0943 -7 2 5 4 89.76 4.37 1.0925 -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.