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: Kamisugai, Japan Sample Number: 3 _database_code_amcsd 0004988 CELL PARAMETERS: 8.7278 5.8065 9.8121 90.000 109.060 90.000 SPACE GROUP: P2_1/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 469.996 Density (g/cm3): 3.526 MAX. ABS. INTENSITY / VOLUME**2: 9.401730140 RIR: 0.868 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.54 1.92 9.2742 0 0 1 2 18.64 1.45 4.7604 -1 0 2 2 19.14 1.65 4.6371 0 0 2 2 19.33 58.99 4.5910 -1 1 1 4 20.51 18.77 4.3302 -2 0 1 2 21.54 10.10 4.1247 2 0 0 2 22.58 1.11 3.9369 1 1 1 4 23.73 32.43 3.7493 -2 0 2 2 24.18 4.68 3.6814 -1 1 2 4 24.91 2.60 3.5743 1 0 2 2 25.66 1.83 3.4712 -2 1 1 4 26.36 5.31 3.3810 2 0 1 2 28.33 4.49 3.1497 -2 1 2 4 29.34 7.16 3.0438 1 1 2 4 29.93 2.87 2.9854 -2 0 3 2 30.60 4.03 2.9218 2 1 1 4 30.75 16.24 2.9078 -3 0 1 2 30.80 28.69 2.9032 0 2 0 2 31.42 100.00 2.8469 -1 1 3 4 31.96 6.43 2.8001 -3 0 2 2 32.31 9.19 2.7707 0 2 1 4 32.56 4.97 2.7498 3 0 0 2 32.70 7.76 2.7386 1 2 0 4 33.09 5.84 2.7074 -1 2 1 4 33.46 36.01 2.6780 2 0 2 2 33.76 2.70 2.6551 -2 1 3 4 34.50 49.39 2.6000 -3 1 1 4 35.16 4.04 2.5524 1 2 1 4 35.60 2.70 2.5222 -3 1 2 4 36.14 1.46 2.4852 3 1 0 4 36.24 1.80 2.4787 -1 2 2 4 36.51 32.60 2.4607 0 2 2 4 36.96 4.79 2.4319 2 1 2 4 37.29 7.62 2.4114 -2 2 1 4 37.58 33.77 2.3932 1 1 3 4 37.90 5.63 2.3741 2 2 0 4 39.24 17.81 2.2958 -3 1 3 4 39.25 13.51 2.2955 -2 2 2 4 39.94 3.05 2.2574 -1 1 4 4 40.25 5.01 2.2408 3 1 1 4 40.97 2.93 2.2026 2 2 1 4 41.62 1.66 2.1700 -1 2 3 4 41.64 13.16 2.1688 -4 0 1 2 41.72 4.43 2.1651 -4 0 2 2 41.85 16.47 2.1585 2 0 3 2 42.73 19.22 2.1163 0 2 3 4 43.48 22.28 2.0814 -2 2 3 4 43.90 4.93 2.0623 4 0 0 2 44.08 4.33 2.0545 -3 2 1 4 44.60 3.27 2.0317 -4 1 1 4 44.67 1.94 2.0287 -4 1 2 4 44.80 2.06 2.0232 2 1 3 4 44.91 4.64 2.0183 -3 1 4 4 46.11 11.33 1.9685 2 2 2 4 46.26 2.88 1.9625 3 1 2 4 48.23 4.64 1.8868 4 0 1 2 48.30 1.53 1.8843 1 3 0 4 48.56 1.13 1.8746 -4 0 4 2 48.58 4.78 1.8741 -1 3 1 4 49.12 1.24 1.8548 0 0 5 2 49.27 3.16 1.8495 -1 1 5 4 49.49 1.14 1.8416 -3 0 5 2 49.52 1.54 1.8407 -2 2 4 4 50.37 10.67 1.8117 0 2 4 4 50.89 3.18 1.7945 4 1 1 4 50.93 1.15 1.7930 -1 3 2 4 51.21 5.95 1.7840 -4 1 4 4 52.68 1.12 1.7375 -4 2 1 4 54.15 1.44 1.6936 3 2 2 4 54.58 5.12 1.6813 4 2 0 4 54.69 3.99 1.6783 -4 0 5 2 55.16 11.08 1.6651 -1 3 3 4 55.60 6.06 1.6530 -5 1 1 4 56.33 6.94 1.6332 -2 0 6 2 56.56 7.61 1.6271 1 1 5 4 56.71 5.01 1.6231 4 1 2 4 56.96 1.23 1.6166 -5 0 4 2 57.13 2.06 1.6123 -4 1 5 4 57.17 12.85 1.6112 -3 3 1 4 58.62 43.28 1.5749 -4 2 4 4 58.87 1.35 1.5687 2 3 2 4 59.10 3.80 1.5631 0 2 5 4 59.31 4.49 1.5582 1 3 3 4 59.83 13.37 1.5457 0 0 6 2 60.01 1.66 1.5417 3 0 4 2 60.08 1.86 1.5400 5 0 1 2 60.50 2.93 1.5303 -3 3 3 4 60.87 10.92 1.5219 2 2 4 4 61.11 1.38 1.5165 2 0 5 2 61.23 2.14 1.5137 3 3 1 4 61.68 1.38 1.5038 4 0 3 2 62.06 1.21 1.4955 -5 2 2 4 62.19 5.96 1.4927 -4 0 6 2 62.39 1.19 1.4885 5 1 1 4 62.66 3.23 1.4826 -5 2 1 4 63.56 2.04 1.4638 1 2 5 4 63.70 23.70 1.4609 4 2 2 4 64.16 23.64 1.4516 0 4 0 2 65.58 11.38 1.4235 -2 2 6 4 66.27 1.29 1.4104 -6 1 2 4 66.82 3.26 1.4001 -6 0 4 2 69.00 1.01 1.3611 -6 1 4 4 69.43 1.86 1.3537 -2 4 2 4 69.58 1.06 1.3511 4 3 1 4 69.81 1.08 1.3472 3 0 5 2 69.85 2.16 1.3466 -4 3 4 4 69.91 1.42 1.3455 -3 1 7 4 70.30 4.03 1.3390 4 0 4 2 70.53 1.34 1.3353 4 2 3 4 71.95 3.42 1.3124 3 1 5 4 72.74 3.90 1.3000 -6 2 2 4 72.82 2.09 1.2988 -3 4 1 4 73.56 3.90 1.2875 -5 3 1 4 73.90 4.50 1.2824 -6 2 1 4 74.32 6.18 1.2762 2 4 2 4 74.39 3.11 1.2752 1 3 5 4 74.53 1.96 1.2732 4 3 2 4 75.37 3.01 1.2611 -6 2 4 4 77.99 3.86 1.2251 -2 0 8 2 78.11 3.68 1.2236 -5 1 7 4 78.52 1.08 1.2182 1 1 7 4 79.44 1.10 1.2063 -4 4 1 4 79.49 1.42 1.2057 -4 4 2 4 79.52 2.89 1.2053 0 2 7 4 79.58 2.09 1.2046 2 4 3 4 81.00 1.21 1.1871 4 4 0 4 83.19 1.04 1.1612 -7 1 5 4 84.24 1.57 1.1494 -5 2 7 4 86.48 1.09 1.1254 -3 3 7 4 88.41 2.41 1.1057 3 3 5 4 88.62 1.01 1.1036 7 1 1 4 89.20 1.26 1.0979 -4 4 5 4 89.27 2.08 1.0973 -7 2 5 4 89.59 4.33 1.0942 -1 5 3 4 89.82 1.24 1.0919 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.