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: 6 _database_code_amcsd 0004991 CELL PARAMETERS: 8.7160 5.7990 9.7940 90.000 108.985 90.000 SPACE GROUP: P2_1/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 468.101 Density (g/cm3): 3.540 MAX. ABS. INTENSITY / VOLUME**2: 9.403995971 RIR: 0.865 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.55 2.22 9.2612 0 0 1 2 18.68 2.13 4.7506 -1 0 2 2 19.17 1.54 4.6306 0 0 2 2 19.36 56.12 4.5838 -1 1 1 4 20.54 17.76 4.3235 -2 0 1 2 21.56 10.63 4.1209 2 0 0 2 23.78 33.35 3.7417 -2 0 2 2 24.22 5.04 3.6749 -1 1 2 4 24.93 2.97 3.5713 1 0 2 2 25.70 1.44 3.4662 -2 1 1 4 26.38 5.98 3.3788 2 0 1 2 27.36 1.06 3.2602 -1 0 3 2 28.39 4.50 3.1441 -2 1 2 4 29.37 6.91 3.0409 1 1 2 4 29.99 2.87 2.9791 -2 0 3 2 30.62 4.10 2.9194 2 1 1 4 30.79 17.05 2.9040 -3 0 1 2 30.84 28.86 2.8995 0 2 0 2 31.48 100.00 2.8419 -1 1 3 4 32.02 6.16 2.7953 -3 0 2 2 32.35 9.31 2.7671 0 2 1 4 32.59 5.47 2.7473 3 0 0 2 32.74 8.36 2.7352 1 2 0 4 33.13 6.11 2.7037 -1 2 1 4 33.48 36.53 2.6763 2 0 2 2 33.83 3.26 2.6499 -2 1 3 4 34.54 48.58 2.5966 -3 1 1 4 35.20 4.31 2.5495 1 2 1 4 35.66 2.10 2.5180 -3 1 2 4 36.18 1.71 2.4828 3 1 0 4 36.30 1.65 2.4749 -1 2 2 4 36.56 32.65 2.4575 0 2 2 4 36.99 5.16 2.4300 2 1 2 4 37.34 7.73 2.4081 -2 2 1 4 37.62 33.44 2.3907 1 1 3 4 37.94 5.78 2.3713 2 2 0 4 39.31 13.20 2.2919 -2 2 2 4 39.32 18.89 2.2915 -3 1 3 4 40.01 2.98 2.2536 -1 1 4 4 40.28 4.55 2.2391 3 1 1 4 41.02 3.30 2.2004 2 2 1 4 41.69 1.38 2.1666 -1 2 3 4 41.69 12.17 2.1662 -4 0 1 2 41.78 3.70 2.1618 -4 0 2 2 41.88 16.30 2.1569 2 0 3 2 42.79 19.03 2.1135 0 2 3 4 43.56 22.29 2.0778 -2 2 3 4 43.94 5.30 2.0605 4 0 0 2 44.14 5.23 2.0518 -3 2 1 4 44.66 3.98 2.0293 -4 1 1 4 44.74 1.96 2.0256 -4 1 2 4 44.83 2.27 2.0216 2 1 3 4 45.01 4.66 2.0142 -3 1 4 4 46.16 10.95 1.9666 2 2 2 4 46.30 2.78 1.9611 3 1 2 4 47.04 1.02 1.9320 -4 1 3 4 48.27 4.15 1.8855 4 0 1 2 48.36 1.55 1.8819 1 3 0 4 48.65 4.64 1.8716 -1 3 1 4 49.19 1.20 1.8522 0 0 5 2 49.36 3.31 1.8464 -1 1 5 4 49.61 1.74 1.8375 -2 2 4 4 50.44 10.88 1.8093 0 2 4 4 50.93 3.37 1.7931 4 1 1 4 51.01 1.21 1.7905 -1 3 2 4 51.31 6.68 1.7805 -4 1 4 4 54.20 1.53 1.6922 3 2 2 4 54.64 4.93 1.6796 4 2 0 4 54.82 3.62 1.6747 -4 0 5 2 55.25 10.91 1.6627 -1 3 3 4 55.67 5.38 1.6511 -5 1 1 4 56.45 6.97 1.6301 -2 0 6 2 56.63 7.59 1.6253 1 1 5 4 56.76 5.73 1.6220 4 1 2 4 57.08 1.54 1.6135 -5 0 4 2 57.25 12.70 1.6091 -3 3 1 4 57.26 2.07 1.6090 -4 1 5 4 58.73 41.42 1.5720 -4 2 4 4 58.94 1.42 1.5670 2 3 2 4 59.19 3.84 1.5609 0 2 5 4 59.39 4.32 1.5563 1 3 3 4 59.93 13.20 1.5435 0 0 6 2 60.05 1.55 1.5406 3 0 4 2 60.13 1.96 1.5388 5 0 1 2 60.60 3.07 1.5279 -3 3 3 4 60.93 10.86 1.5205 2 2 4 4 61.17 1.30 1.5151 2 0 5 2 61.31 2.00 1.5121 3 3 1 4 61.72 1.50 1.5028 4 0 3 2 62.16 1.45 1.4934 -5 2 2 4 62.34 6.17 1.4896 -4 0 6 2 62.74 3.80 1.4808 -5 2 1 4 63.64 2.26 1.4621 1 2 5 4 63.76 22.57 1.4597 4 2 2 4 64.25 23.64 1.4497 0 4 0 2 65.71 11.49 1.4210 -2 2 6 4 66.37 1.34 1.4085 -6 1 2 4 66.95 3.23 1.3976 -6 0 4 2 69.14 1.22 1.3587 -6 1 4 4 69.54 1.92 1.3518 -2 4 2 4 69.66 1.14 1.3497 4 3 1 4 69.87 1.16 1.3462 3 0 5 2 69.98 2.38 1.3443 -4 3 4 4 70.07 1.30 1.3429 -3 1 7 4 70.36 3.73 1.3381 4 0 4 2 70.59 1.52 1.3343 4 2 3 4 72.02 3.28 1.3113 3 1 5 4 72.85 3.70 1.2983 -6 2 2 4 72.93 2.17 1.2971 -3 4 1 4 73.67 3.63 1.2860 -5 3 1 4 74.00 4.56 1.2810 -6 2 1 4 74.42 6.21 1.2747 2 4 2 4 74.50 3.09 1.2737 1 3 5 4 74.61 2.24 1.2721 4 3 2 4 75.52 2.91 1.2590 -6 2 4 4 76.78 1.01 1.2414 6 2 0 4 78.16 3.97 1.2229 -2 0 8 2 78.30 3.33 1.2210 -5 1 7 4 78.63 1.10 1.2168 1 1 7 4 79.62 1.26 1.2041 -4 4 2 4 79.66 2.90 1.2037 0 2 7 4 79.69 2.04 1.2032 2 4 3 4 81.11 1.28 1.1857 4 4 0 4 84.45 1.82 1.1471 -5 2 7 4 86.67 1.03 1.1234 -3 3 7 4 86.69 1.02 1.1232 7 0 1 2 88.51 2.32 1.1047 3 3 5 4 89.39 1.13 1.0961 -4 4 5 4 89.46 2.04 1.0954 -7 2 5 4 89.74 4.38 1.0927 -1 5 3 4 89.93 1.11 1.0909 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.