Thermessaite Demartin F, Gramaccioli C M, Campostrini I, Orlandi P The Canadian Mineralogist 46 (2008) 693-700 Thermessaite, K2[AlF3|SO4], a new ino-aluminofluoride-sulfate from La Fossa crater, Vulcano, Aeolian Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy Note: z-coordinate of S altered _database_code_amcsd 0006194 CELL PARAMETERS: 10.8100 8.3360 6.8220 90.000 90.000 90.000 SPACE GROUP: Pbcn X-RAY WAVELENGTH: 1.541838 Cell Volume: 614.745 Density (g/cm3): 2.790 MAX. ABS. INTENSITY / VOLUME**2: 8.804187551 RIR: 1.028 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.41 36.88 6.6012 1 1 0 4 16.40 28.33 5.4050 2 0 0 2 18.70 44.63 4.7439 1 1 1 8 21.32 3.72 4.1680 0 2 0 2 23.56 7.67 3.7767 2 1 1 8 26.12 16.24 3.4110 0 0 2 2 26.38 2.66 3.3785 1 2 1 8 26.96 13.26 3.3076 3 1 0 4 27.01 3.18 3.3006 2 2 0 4 27.42 6.38 3.2529 1 0 2 4 29.48 61.12 3.0304 1 1 2 8 30.02 85.61 2.9762 3 1 1 8 30.08 100.00 2.9711 2 2 1 8 31.00 1.21 2.8846 2 0 2 4 33.15 5.93 2.7025 4 0 0 2 33.29 27.55 2.6912 1 3 0 4 33.96 38.32 2.6397 0 2 2 4 34.99 18.27 2.5644 1 2 2 8 35.46 1.07 2.5313 3 2 1 8 35.87 1.71 2.5034 1 3 1 8 36.26 2.42 2.4771 3 0 2 4 37.38 16.39 2.4056 4 1 1 8 37.89 9.22 2.3745 3 1 2 8 38.76 15.54 2.3235 2 3 1 8 39.75 3.03 2.2676 4 2 0 4 41.02 4.61 2.2004 3 3 0 4 42.02 2.50 2.1500 1 1 3 8 42.45 1.28 2.1294 3 2 2 8 42.69 4.56 2.1182 4 0 2 4 42.80 2.16 2.1128 1 3 2 8 43.20 16.35 2.0942 3 3 1 8 43.23 1.79 2.0928 5 1 0 4 44.11 8.22 2.0530 4 1 2 8 44.57 4.92 2.0328 2 1 3 8 45.33 12.28 2.0007 5 1 1 8 45.44 1.57 1.9962 0 2 3 4 45.51 11.51 1.9931 0 4 1 4 46.25 20.60 1.9630 1 2 3 8 46.32 8.87 1.9600 1 4 1 8 46.72 1.97 1.9445 2 4 0 4 48.19 3.02 1.8884 4 2 2 8 48.59 5.36 1.8739 3 1 3 8 48.62 15.75 1.8726 2 2 3 8 48.69 6.99 1.8700 2 4 1 8 49.28 2.00 1.8491 3 3 2 8 49.33 2.80 1.8475 5 2 1 8 49.94 1.27 1.8261 5 0 2 4 50.67 7.35 1.8017 6 0 0 2 51.21 4.60 1.7838 5 1 2 8 51.38 6.52 1.7784 0 4 2 4 53.72 15.97 1.7063 5 3 0 4 53.75 4.85 1.7055 0 0 4 2 53.82 3.11 1.7033 4 1 3 8 54.31 1.41 1.6893 2 4 2 8 54.47 3.26 1.6847 1 0 4 4 54.47 6.48 1.6846 4 3 2 8 55.51 2.63 1.6553 5 3 1 8 55.66 3.58 1.6513 1 1 4 8 57.39 1.08 1.6057 4 2 3 8 57.82 1.28 1.5947 3 4 2 8 60.01 3.16 1.5415 3 0 4 4 60.69 3.06 1.5260 5 3 2 8 61.02 3.94 1.5184 7 1 0 4 62.40 9.29 1.4881 6 2 2 8 62.61 8.33 1.4837 1 5 2 8 62.68 2.84 1.4822 7 1 1 8 62.89 5.94 1.4779 2 4 3 8 62.92 4.08 1.4772 3 5 1 8 63.04 2.26 1.4747 4 3 3 8 64.62 2.26 1.4423 4 0 4 4 64.71 7.31 1.4406 1 3 4 8 66.11 1.86 1.4133 3 4 3 8 66.46 1.68 1.4068 7 0 2 4 66.63 2.54 1.4037 2 3 4 8 67.24 1.07 1.3923 6 1 3 8 67.75 2.11 1.3831 3 5 2 8 71.45 2.88 1.3202 5 5 0 4 72.09 1.06 1.3101 4 5 2 8 72.32 2.97 1.3066 2 1 5 8 72.43 1.36 1.3048 2 5 3 8 73.57 1.08 1.2875 1 2 5 8 73.70 1.60 1.2854 8 2 0 4 74.06 1.97 1.2801 4 3 4 8 74.22 1.40 1.2777 1 6 2 8 75.22 5.23 1.2632 8 2 1 8 75.25 2.09 1.2628 7 1 3 8 75.79 1.70 1.2551 7 3 2 8 76.03 2.82 1.2517 2 6 2 8 76.99 4.22 1.2386 6 0 4 4 77.21 1.44 1.2356 4 6 0 4 77.53 8.11 1.2312 5 5 2 8 77.99 1.02 1.2251 6 1 4 8 78.33 1.27 1.2207 7 4 1 8 79.45 3.43 1.2063 5 3 4 8 79.64 1.41 1.2038 4 5 3 8 82.51 1.33 1.1691 4 2 5 8 82.93 1.43 1.1642 2 5 4 8 83.24 1.16 1.1607 7 3 3 8 83.47 1.05 1.1580 2 6 3 8 85.55 1.61 1.1352 1 4 5 8 85.65 1.18 1.1341 7 1 4 8 85.92 1.57 1.1313 6 3 4 8 87.09 1.05 1.1190 8 2 3 8 87.15 2.50 1.1184 8 4 1 8 87.44 3.26 1.1155 3 7 1 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.