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: New Brunswick, Canada Sample Number: 2 _database_code_amcsd 0004987 CELL PARAMETERS: 8.7090 5.7939 9.7790 90.000 108.953 90.000 SPACE GROUP: P2_1/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 466.688 Density (g/cm3): 3.573 MAX. ABS. INTENSITY / VOLUME**2: 9.297476169 RIR: 0.847 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.56 1.22 9.2488 0 0 1 2 18.71 1.85 4.7433 -1 0 2 2 19.19 1.46 4.6244 0 0 2 2 19.38 49.72 4.5791 -1 1 1 4 20.56 16.34 4.3196 -2 0 1 2 21.58 10.20 4.1184 2 0 0 2 23.81 31.55 3.7369 -2 0 2 2 24.25 4.67 3.6702 -1 1 2 4 24.96 3.00 3.5679 1 0 2 2 25.72 1.39 3.4631 -2 1 1 4 26.39 6.47 3.3767 2 0 1 2 28.42 4.29 3.1404 -2 1 2 4 29.40 7.12 3.0381 1 1 2 4 30.04 2.75 2.9747 -2 0 3 2 30.64 4.14 2.9174 2 1 1 4 30.81 17.89 2.9017 -3 0 1 2 30.87 30.93 2.8970 0 2 0 2 31.52 100.00 2.8380 -1 1 3 4 32.05 6.26 2.7923 -3 0 2 2 32.38 9.08 2.7645 0 2 1 4 32.61 5.36 2.7456 3 0 0 2 32.77 8.36 2.7329 1 2 0 4 33.17 5.90 2.7011 -1 2 1 4 33.51 35.60 2.6743 2 0 2 2 33.87 3.18 2.6463 -2 1 3 4 34.57 49.05 2.5945 -3 1 1 4 35.23 4.31 2.5473 1 2 1 4 35.69 2.53 2.5154 -3 1 2 4 36.20 1.51 2.4811 3 1 0 4 36.34 1.82 2.4723 -1 2 2 4 36.60 33.63 2.4550 0 2 2 4 37.02 5.44 2.4281 2 1 2 4 37.38 8.49 2.4060 -2 2 1 4 37.66 34.79 2.3883 1 1 3 4 37.97 5.70 2.3695 2 2 0 4 39.35 14.14 2.2895 -2 2 2 4 39.37 19.87 2.2887 -3 1 3 4 40.07 3.00 2.2504 -1 1 4 4 40.30 4.79 2.2377 3 1 1 4 41.05 3.57 2.1987 2 2 1 4 41.73 12.84 2.1647 -4 0 1 2 41.74 1.54 2.1641 -1 2 3 4 41.82 3.93 2.1598 -4 0 2 2 41.92 15.96 2.1550 2 0 3 2 42.84 19.44 2.1111 0 2 3 4 43.61 23.01 2.0754 -2 2 3 4 43.97 5.43 2.0592 4 0 0 2 44.18 5.34 2.0501 -3 2 1 4 44.69 4.07 2.0278 -4 1 1 4 44.78 1.91 2.0238 -4 1 2 4 44.88 2.25 2.0198 2 1 3 4 45.07 4.58 2.0114 -3 1 4 4 46.20 10.93 1.9650 2 2 2 4 46.33 2.53 1.9598 3 1 2 4 47.09 1.01 1.9298 -4 1 3 4 48.30 4.41 1.8844 4 0 1 2 48.41 1.59 1.8803 1 3 0 4 48.70 4.39 1.8699 -1 3 1 4 49.26 1.19 1.8498 0 0 5 2 49.43 3.24 1.8438 -1 1 5 4 49.68 1.81 1.8351 -2 2 4 4 49.69 1.05 1.8349 -3 0 5 2 50.50 10.74 1.8072 0 2 4 4 50.96 3.30 1.7920 4 1 1 4 51.06 1.11 1.7887 -1 3 2 4 51.38 6.57 1.7783 -4 1 4 4 52.79 1.04 1.7340 -4 2 1 4 54.25 1.70 1.6910 3 2 2 4 54.69 4.86 1.6784 4 2 0 4 54.90 3.80 1.6724 -4 0 5 2 55.31 11.29 1.6610 -1 3 3 4 55.71 5.77 1.6500 -5 1 1 4 56.54 7.16 1.6276 -2 0 6 2 56.70 7.67 1.6235 1 1 5 4 56.80 5.91 1.6209 4 1 2 4 57.15 1.51 1.6117 -5 0 4 2 57.31 12.58 1.6078 -3 3 1 4 57.34 2.02 1.6068 -4 1 5 4 58.81 41.86 1.5702 -4 2 4 4 58.99 1.52 1.5657 2 3 2 4 59.27 3.72 1.5591 0 2 5 4 59.45 4.68 1.5549 1 3 3 4 60.02 13.33 1.5415 0 0 6 2 60.11 1.67 1.5393 3 0 4 2 60.17 1.99 1.5379 5 0 1 2 60.67 3.28 1.5264 -3 3 3 4 61.00 11.07 1.5190 2 2 4 4 61.24 1.34 1.5136 2 0 5 2 61.36 1.97 1.5109 3 3 1 4 61.77 1.56 1.5018 4 0 3 2 62.22 1.39 1.4921 -5 2 2 4 62.44 6.31 1.4874 -4 0 6 2 62.80 3.91 1.4797 -5 2 1 4 63.72 2.22 1.4605 1 2 5 4 63.81 23.22 1.4587 4 2 2 4 64.31 24.32 1.4485 0 4 0 2 65.82 11.66 1.4190 -2 2 6 4 66.43 1.33 1.4074 -6 1 2 4 66.99 1.04 1.3970 -2 0 7 2 67.03 3.26 1.3962 -6 0 4 2 69.22 1.30 1.3573 -6 1 4 4 69.61 1.94 1.3506 -2 4 2 4 69.72 1.14 1.3487 4 3 1 4 69.95 1.19 1.3450 3 0 5 2 70.07 2.39 1.3429 -4 3 4 4 70.19 1.30 1.3409 -3 1 7 4 70.42 3.79 1.3371 4 0 4 2 70.65 1.52 1.3333 4 2 3 4 72.09 3.29 1.3101 3 1 5 4 72.92 3.65 1.2973 -6 2 2 4 73.00 2.26 1.2960 -3 4 1 4 73.73 3.71 1.2850 -5 3 1 4 74.06 4.74 1.2801 -6 2 1 4 74.50 6.15 1.2737 2 4 2 4 74.59 3.15 1.2723 1 3 5 4 74.67 2.31 1.2711 4 3 2 4 75.61 2.96 1.2577 -6 2 4 4 76.84 1.05 1.2406 6 2 0 4 78.30 3.95 1.2210 -2 0 8 2 78.44 3.40 1.2193 -5 1 7 4 78.74 1.06 1.2153 1 1 7 4 79.64 1.05 1.2038 -4 4 1 4 79.71 1.29 1.2030 -4 4 2 4 79.77 2.04 1.2022 2 4 3 4 79.78 3.01 1.2021 0 2 7 4 81.19 1.31 1.1847 4 4 0 4 84.59 1.87 1.1456 -5 2 7 4 88.61 2.31 1.1037 3 3 5 4 89.51 1.20 1.0949 -4 4 5 4 89.58 2.06 1.0942 -7 2 5 4 89.85 4.35 1.0917 -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.