Coquimbite Demartin F, Castellano C, Gramaccioli C M, Campostrini I The Canadian Mineralogist 48 (2010) 323-333 Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals Note: sample vulc1 Locality: Alum Grotto, Vulcano, Aeolian Islands, Sicily, Italy _database_code_amcsd 0006336 CELL PARAMETERS: 10.9100 10.9100 17.0625 90.000 90.000 120.000 SPACE GROUP: P-31c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1758.826 Density (g/cm3): 2.068 MAX. ABS. INTENSITY / VOLUME**2: 12.78949140 RIR: 2.014 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.36 46.49 9.4483 1 0 0 6 10.37 21.01 8.5312 0 0 2 2 10.70 100.00 8.2657 1 0 1 12 13.99 7.19 6.3320 1 0 2 12 16.25 32.77 5.4550 1 1 0 6 18.21 1.23 4.8728 1 0 3 12 18.78 16.89 4.7242 2 0 0 6 19.31 29.59 4.5958 1 1 2 6 19.31 3.76 4.5958 2 -1 2 6 19.50 6.97 4.5529 2 0 1 12 20.82 2.76 4.2656 0 0 4 2 22.87 2.97 3.8878 1 0 4 12 24.50 29.86 3.6340 2 0 3 12 24.93 3.84 3.5711 2 1 0 12 25.48 16.18 3.4954 3 -1 1 12 26.53 40.90 3.3602 1 1 4 6 26.53 8.23 3.3602 2 -1 4 6 27.07 2.40 3.2942 2 1 2 12 27.80 2.76 3.2096 1 0 5 12 28.19 1.02 3.1660 2 0 4 12 28.83 11.76 3.0971 3 0 1 12 29.54 18.63 3.0244 3 -1 3 12 30.25 1.95 2.9545 3 0 2 12 32.36 12.54 2.7663 2 0 5 12 32.50 26.73 2.7552 3 0 3 12 32.70 5.35 2.7382 2 1 4 12 32.70 7.65 2.7382 3 -1 4 12 35.43 13.19 2.5337 3 0 4 12 35.60 3.44 2.5217 2 -1 6 6 35.85 1.76 2.5050 3 1 2 12 37.80 3.24 2.3800 4 -1 3 12 37.80 1.66 2.3800 3 1 3 12 38.10 1.55 2.3621 4 0 0 6 38.91 1.89 2.3144 3 0 5 12 39.20 8.63 2.2979 4 -2 4 6 41.67 1.44 2.1676 3 2 0 12 42.02 1.19 2.1503 3 2 1 12 43.54 2.92 2.0784 4 -1 5 12 43.91 2.77 2.0618 4 1 0 12 44.25 1.00 2.0469 5 -1 1 12 45.03 1.18 2.0132 3 -1 7 12 45.67 1.12 1.9864 2 -1 8 6 46.11 4.02 1.9684 4 -2 6 6 46.11 1.01 1.9684 2 2 6 6 46.73 1.88 1.9439 2 0 8 12 46.87 4.10 1.9384 4 1 3 12 49.08 7.58 1.8563 5 -1 4 12 49.08 2.83 1.8563 4 1 4 12 50.17 4.19 1.8183 3 3 0 6 51.38 2.35 1.7784 6 -3 2 6 51.38 1.55 1.7784 3 3 2 6 51.46 1.03 1.7759 4 2 1 12 51.77 3.83 1.7660 3 0 8 12 51.81 3.46 1.7647 4 1 5 12 53.00 1.94 1.7277 5 0 4 12 53.13 1.62 1.7239 5 -2 6 12 54.06 1.31 1.6963 4 0 7 12 54.63 7.21 1.6801 2 2 8 6 54.63 2.31 1.6801 4 -2 8 6 54.82 1.21 1.6745 3 -1 9 12 55.01 1.57 1.6692 4 1 6 12 56.84 1.63 1.6198 3 2 7 12 58.62 1.39 1.5747 6 0 0 6 58.65 1.96 1.5742 5 -1 7 12 61.27 2.02 1.5129 5 2 0 12 61.84 1.08 1.5002 3 0 10 12 62.33 1.74 1.4897 7 -2 2 12 62.67 2.83 1.4824 5 -1 8 12 62.67 2.54 1.4824 4 1 8 12 62.91 1.74 1.4773 6 0 4 12 65.46 1.42 1.4259 7 -2 4 12 65.46 1.50 1.4259 5 2 4 12 67.72 1.59 1.3837 6 -3 8 6 68.15 1.21 1.3759 1 1 12 6 69.85 1.62 1.3467 4 4 2 6 71.81 1.12 1.3145 5 -1 10 12 72.81 1.75 1.2990 4 4 4 6 73.01 1.86 1.2959 3 0 12 12 79.88 1.20 1.2008 7 1 4 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.