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: Falotta, Switzerland Sample Number: 1 _database_code_amcsd 0004986 CELL PARAMETERS: 8.7201 5.8053 9.8075 90.000 109.011 90.000 SPACE GROUP: P2_1/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 469.403 Density (g/cm3): 3.552 MAX. ABS. INTENSITY / VOLUME**2: 9.288728495 RIR: 0.852 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.54 1.22 9.2726 0 0 1 2 18.65 1.57 4.7571 -1 0 2 2 19.14 1.52 4.6363 0 0 2 2 19.34 49.77 4.5887 -1 1 1 4 20.53 16.33 4.3260 -2 0 1 2 21.56 10.00 4.1222 2 0 0 2 22.59 1.01 3.9364 1 1 1 4 23.76 30.30 3.7455 -2 0 2 2 24.19 4.71 3.6795 -1 1 2 4 24.91 2.85 3.5742 1 0 2 2 25.68 1.18 3.4688 -2 1 1 4 26.37 6.15 3.3802 2 0 1 2 27.32 1.05 3.2648 -1 0 3 2 28.36 4.16 3.1473 -2 1 2 4 29.34 7.22 3.0436 1 1 2 4 29.96 2.84 2.9829 -2 0 3 2 30.61 4.34 2.9211 2 1 1 4 30.78 18.19 2.9053 -3 0 1 2 30.80 30.83 2.9027 0 2 0 2 31.44 100.00 2.8456 -1 1 3 4 31.99 6.40 2.7973 -3 0 2 2 32.32 9.04 2.7701 0 2 1 4 32.58 5.40 2.7482 3 0 0 2 32.71 8.12 2.7379 1 2 0 4 33.10 6.01 2.7066 -1 2 1 4 33.46 35.67 2.6778 2 0 2 2 33.78 3.55 2.6531 -2 1 3 4 34.52 48.47 2.5981 -3 1 1 4 35.17 4.30 2.5519 1 2 1 4 35.63 2.63 2.5200 -3 1 2 4 36.16 1.35 2.4839 3 1 0 4 36.25 1.85 2.4778 -1 2 2 4 36.52 33.25 2.4603 0 2 2 4 36.97 5.16 2.4316 2 1 2 4 37.31 8.31 2.4103 -2 2 1 4 37.59 34.85 2.3930 1 1 3 4 37.91 5.57 2.3733 2 2 0 4 39.27 14.55 2.2943 -2 2 2 4 39.28 19.12 2.2938 -3 1 3 4 39.95 2.85 2.2566 -1 1 4 4 40.26 4.98 2.2401 3 1 1 4 40.98 3.41 2.2021 2 2 1 4 41.63 1.46 2.1693 -1 2 3 4 41.68 12.56 2.1671 -4 0 1 2 41.76 4.03 2.1630 -4 0 2 2 41.85 16.38 2.1584 2 0 3 2 42.73 19.21 2.1159 0 2 3 4 43.50 22.81 2.0803 -2 2 3 4 43.93 5.28 2.0611 4 0 0 2 44.10 5.68 2.0534 -3 2 1 4 44.63 3.97 2.0302 -4 1 1 4 44.71 2.00 2.0269 -4 1 2 4 44.80 2.17 2.0231 2 1 3 4 44.95 4.62 2.0166 -3 1 4 4 46.12 10.89 1.9682 2 2 2 4 46.27 2.72 1.9622 3 1 2 4 48.25 4.34 1.8861 4 0 1 2 48.31 1.59 1.8839 1 3 0 4 48.59 4.44 1.8736 -1 3 1 4 49.13 1.20 1.8545 0 0 5 2 49.29 3.15 1.8489 -1 1 5 4 49.54 1.07 1.8401 -3 0 5 2 49.55 1.69 1.8398 -2 2 4 4 50.38 10.95 1.8114 0 2 4 4 50.91 3.51 1.7938 4 1 1 4 50.95 1.10 1.7925 -1 3 2 4 51.26 6.79 1.7823 -4 1 4 4 52.71 1.02 1.7365 -4 2 1 4 54.16 1.55 1.6933 3 2 2 4 54.61 4.97 1.6805 4 2 0 4 54.75 3.75 1.6767 -4 0 5 2 55.18 11.19 1.6647 -1 3 3 4 55.64 5.49 1.6518 -5 1 1 4 56.36 7.15 1.6324 -2 0 6 2 56.57 7.76 1.6270 1 1 5 4 56.73 5.86 1.6227 4 1 2 4 57.03 1.50 1.6149 -5 0 4 2 57.19 2.19 1.6108 -4 1 5 4 57.20 12.53 1.6106 -3 3 1 4 58.67 41.42 1.5736 -4 2 4 4 58.88 1.50 1.5684 2 3 2 4 59.12 3.75 1.5628 0 2 5 4 59.32 4.66 1.5579 1 3 3 4 59.85 13.44 1.5454 0 0 6 2 60.01 1.68 1.5416 3 0 4 2 60.11 2.03 1.5393 5 0 1 2 60.53 3.10 1.5296 -3 3 3 4 60.87 11.22 1.5218 2 2 4 4 61.11 1.37 1.5165 2 0 5 2 61.25 2.04 1.5133 3 3 1 4 61.69 1.47 1.5036 4 0 3 2 62.11 1.46 1.4944 -5 2 2 4 62.25 6.13 1.4914 -4 0 6 2 62.71 3.94 1.4817 -5 2 1 4 63.57 2.17 1.4637 1 2 5 4 63.72 22.80 1.4605 4 2 2 4 64.17 24.24 1.4513 0 4 0 2 65.62 11.61 1.4228 -2 2 6 4 66.33 1.45 1.4092 -6 1 2 4 66.77 1.03 1.4011 -2 0 7 2 66.90 3.11 1.3986 -6 0 4 2 69.08 1.37 1.3597 -6 1 4 4 69.45 1.86 1.3533 -2 4 2 4 69.61 1.20 1.3507 4 3 1 4 69.81 1.15 1.3472 3 0 5 2 69.90 2.50 1.3457 -4 3 4 4 69.96 1.35 1.3447 -3 1 7 4 70.31 3.78 1.3389 4 0 4 2 70.54 1.43 1.3351 4 2 3 4 71.95 3.27 1.3123 3 1 5 4 72.80 3.63 1.2991 -6 2 2 4 72.85 2.30 1.2983 -3 4 1 4 73.61 3.60 1.2868 -5 3 1 4 73.96 4.80 1.2816 -6 2 1 4 74.34 6.15 1.2760 2 4 2 4 74.41 3.18 1.2750 1 3 5 4 74.55 2.33 1.2729 4 3 2 4 75.45 2.80 1.2600 -6 2 4 4 78.03 3.91 1.2246 -2 0 8 2 78.19 3.42 1.2225 -5 1 7 4 78.53 1.05 1.2181 1 1 7 4 79.48 1.02 1.2059 -4 4 1 4 79.54 1.32 1.2052 -4 4 2 4 79.54 2.94 1.2051 0 2 7 4 79.60 2.10 1.2044 2 4 3 4 81.03 1.28 1.1867 4 4 0 4 84.33 1.98 1.1485 -5 2 7 4 86.53 1.03 1.1248 -3 3 7 4 86.65 1.01 1.1235 7 0 1 2 88.42 2.30 1.1056 3 3 5 4 89.26 1.18 1.0973 -4 4 5 4 89.37 2.14 1.0963 -7 2 5 4 89.61 4.36 1.0939 -1 5 3 4 89.88 1.16 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.