Tuhualite Merlino S Science 166 (1969) 1399-1401 Tuhualite crystal structure Locality: Mayor Island, New Zealand Note: Position of H2O not determined in paper _database_code_amcsd 0015420 CELL PARAMETERS: 14.3100 17.2800 10.1100 90.000 90.000 90.000 SPACE GROUP: Cmca X-RAY WAVELENGTH: 1.541838 Cell Volume: 2499.969 Density (g/cm3): 2.886 MAX. ABS. INTENSITY / VOLUME**2: 9.389532631 RIR: 1.059 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.24 30.50 8.6400 0 2 0 2 12.37 100.00 7.1550 2 0 0 2 16.08 37.26 5.5107 2 2 0 4 17.54 14.93 5.0550 0 0 2 2 18.34 54.81 4.8386 2 2 1 8 19.32 5.09 4.5948 1 1 2 8 20.35 15.88 4.3631 0 2 2 4 20.56 13.74 4.3200 0 4 0 2 21.52 12.08 4.1286 2 0 2 4 22.38 8.07 3.9725 0 4 1 4 23.89 37.42 3.7251 2 2 2 8 24.06 9.11 3.6982 2 4 0 4 24.24 15.55 3.6721 1 3 2 8 24.89 16.18 3.5775 4 0 0 2 25.65 35.21 3.4731 2 4 1 8 26.98 15.70 3.3054 4 2 0 4 27.15 1.61 3.2841 0 4 2 4 27.68 30.04 3.2227 1 1 3 8 27.99 31.49 3.1880 1 5 1 8 28.41 36.36 3.1417 4 2 1 8 29.94 33.94 2.9847 2 4 2 8 30.07 2.10 2.9719 3 3 2 8 30.61 12.42 2.9202 4 0 2 4 31.11 10.59 2.8750 2 2 3 8 31.99 9.45 2.7979 1 5 2 8 32.36 48.67 2.7664 4 2 2 8 32.50 13.77 2.7554 4 4 0 4 32.95 3.26 2.7181 3 1 3 8 33.22 4.46 2.6972 3 5 1 8 33.72 23.98 2.6584 4 4 1 8 33.73 1.76 2.6571 0 4 3 4 35.52 14.62 2.5275 0 0 4 2 35.89 22.72 2.5024 0 6 2 4 36.06 1.59 2.4909 2 4 3 8 36.47 1.84 2.4636 1 1 4 8 36.70 1.24 2.4484 3 5 2 8 37.16 11.59 2.4193 4 4 2 8 37.72 1.15 2.3850 6 0 0 2 37.75 4.75 2.3832 2 0 4 4 37.81 1.51 2.3792 1 5 3 8 38.10 8.45 2.3621 2 6 2 8 38.14 2.70 2.3598 4 2 3 8 39.21 2.20 2.2974 2 2 4 8 40.74 2.61 2.2149 3 1 4 8 41.18 1.21 2.1920 1 7 2 8 41.22 9.23 2.1901 4 6 1 8 41.23 13.48 2.1894 0 6 3 4 41.96 4.01 2.1530 3 5 3 8 42.18 2.83 2.1426 3 7 1 8 42.37 5.03 2.1331 4 4 3 8 43.23 1.44 2.0927 6 2 2 8 43.36 3.35 2.0867 2 4 4 8 43.46 1.15 2.0823 3 3 4 8 43.78 3.54 2.0678 2 8 0 4 43.86 4.30 2.0643 4 0 4 4 44.17 4.62 2.0505 4 6 2 8 44.30 2.29 2.0448 6 4 1 8 44.88 1.10 2.0197 1 5 4 8 45.16 12.25 2.0078 4 2 4 8 45.68 5.05 1.9863 0 8 2 4 46.10 3.43 1.9688 0 2 5 4 47.09 5.54 1.9298 6 4 2 8 47.90 2.34 1.8992 6 2 3 8 48.11 5.40 1.8911 1 3 5 8 48.33 3.37 1.8832 5 1 4 8 48.69 5.51 1.8701 1 9 1 8 49.41 4.27 1.8447 5 5 3 8 49.59 5.10 1.8381 5 7 1 8 50.15 2.90 1.8189 4 8 1 8 50.50 2.45 1.8073 6 6 1 8 51.06 14.91 1.7888 8 0 0 2 51.49 4.29 1.7749 6 4 3 8 51.51 4.10 1.7741 2 4 5 8 52.19 2.42 1.7527 1 7 4 8 52.77 13.94 1.7346 6 0 4 4 52.99 3.16 1.7280 0 10 0 2 53.04 20.36 1.7265 6 6 2 8 53.91 2.06 1.7007 6 2 4 8 54.45 1.50 1.6850 0 0 6 2 54.64 4.18 1.6797 2 10 0 4 55.45 1.79 1.6570 2 10 1 8 55.57 1.02 1.6538 0 2 6 4 56.00 1.17 1.6421 0 8 4 4 56.45 2.26 1.6302 4 4 5 8 56.79 3.12 1.6211 4 8 3 8 57.13 1.63 1.6123 2 6 5 8 58.78 1.43 1.5709 8 4 2 8 59.40 1.63 1.5560 4 10 0 4 59.44 3.55 1.5550 1 7 5 8 59.94 2.91 1.5432 1 11 1 8 60.18 1.05 1.5376 0 10 3 4 60.37 4.59 1.5333 2 4 6 8 60.68 1.63 1.5263 6 8 2 8 60.76 2.45 1.5244 4 0 6 4 60.94 1.47 1.5202 1 9 4 8 61.57 1.85 1.5062 1 5 6 8 61.76 2.79 1.5020 4 6 5 8 61.80 1.34 1.5012 4 2 6 8 62.21 1.53 1.4924 4 8 4 8 62.22 1.11 1.4920 1 11 2 8 62.60 1.96 1.4838 8 4 3 8 62.97 1.73 1.4761 0 8 5 4 63.74 7.56 1.4601 8 0 4 4 63.98 11.15 1.4552 8 6 2 8 64.02 2.13 1.4544 0 6 6 4 64.86 2.35 1.4375 4 4 6 8 65.14 1.44 1.4320 1 1 7 8 65.43 1.22 1.4265 0 10 4 4 65.47 2.37 1.4256 0 12 1 4 65.49 7.60 1.4252 2 6 6 8 65.93 1.33 1.4168 1 11 3 8 66.15 3.18 1.4127 4 10 3 8 66.20 2.03 1.4117 2 12 0 4 66.88 2.41 1.3990 2 10 4 8 67.14 1.30 1.3943 1 3 7 8 67.60 1.86 1.3858 1 9 5 8 67.63 2.89 1.3852 8 6 3 8 68.34 1.76 1.3726 5 7 5 8 68.50 4.42 1.3698 0 4 7 4 68.80 1.89 1.3645 5 11 1 8 69.08 2.31 1.3597 10 2 2 8 69.73 1.58 1.3485 5 9 4 8 69.81 2.58 1.3473 4 6 6 8 69.87 2.94 1.3463 10 4 1 8 70.14 2.81 1.3418 9 1 4 8 70.32 1.05 1.3387 5 5 6 8 70.90 2.28 1.3292 8 8 2 8 70.94 1.30 1.3286 0 8 6 4 70.99 4.08 1.3276 9 5 3 8 71.15 2.90 1.3252 9 7 1 8 71.16 3.25 1.3250 4 10 4 8 71.22 1.78 1.3239 8 2 5 8 71.98 3.35 1.3119 10 4 2 8 72.60 1.79 1.3021 10 2 3 8 73.30 2.41 1.2915 4 12 2 8 73.68 1.35 1.2858 5 1 7 8 74.42 1.86 1.2748 5 11 3 8 76.55 1.20 1.2445 2 0 8 4 76.75 1.01 1.2418 4 12 3 8 78.06 2.00 1.2242 6 10 4 8 78.49 1.17 1.2186 3 1 8 8 79.90 1.87 1.2006 3 11 5 8 80.19 1.38 1.1970 3 13 3 8 80.22 1.27 1.1965 10 4 4 8 80.52 1.11 1.1930 10 8 0 4 80.63 1.68 1.1916 4 0 8 4 81.37 1.00 1.1826 2 14 2 8 81.50 1.75 1.1810 4 12 4 8 82.15 1.41 1.1733 12 2 1 8 86.27 1.07 1.1276 10 4 5 8 87.46 1.48 1.1153 8 10 4 8 87.48 1.11 1.1151 9 7 5 8 87.50 1.03 1.1149 8 12 1 8 87.91 1.43 1.1107 9 11 1 8 88.78 1.07 1.1021 9 9 4 8 89.94 2.08 1.0908 0 8 8 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.