Gismondine Ori S, Quartieri S, Vezzalini G, Dmitriev V American Mineralogist 93 (2008) 1393-1403 Pressure-induced over-hydration and water ordering in gismondine: a synchrotron powder diffraction study Locality: Ballyclare, Ireland Note: pressure = 1.9 GPa _database_code_amcsd 0004633 CELL PARAMETERS: 9.7975 10.6260 9.6977 90.000 91.225 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1009.380 Density (g/cm3): 2.494 MAX. ABS. INTENSITY / VOLUME**2: 3.097524649 RIR: 0.404 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.29 16.01 7.2021 1 1 0 4 12.36 17.60 7.1622 0 1 1 4 15.21 11.88 5.8255 -1 1 1 4 15.44 18.53 5.7385 1 1 1 4 18.11 3.51 4.8976 2 0 0 2 18.30 69.44 4.8477 0 0 2 2 19.00 1.72 4.6702 1 2 0 4 19.05 15.95 4.6593 0 2 1 4 20.13 19.21 4.4104 0 1 2 4 20.26 7.03 4.3822 -1 0 2 2 20.62 2.31 4.3083 1 0 2 2 21.03 60.72 4.2244 -1 2 1 4 21.20 21.02 4.1909 1 2 1 4 21.82 19.02 4.0729 -2 1 1 4 21.94 2.92 4.0512 -1 1 2 4 22.15 26.38 4.0134 2 1 1 4 22.27 9.22 3.9926 1 1 2 4 24.72 5.31 3.6011 2 2 0 4 24.86 4.70 3.5811 0 2 2 4 25.58 4.65 3.4828 -2 0 2 2 26.14 2.25 3.4091 2 0 2 2 26.26 5.14 3.3932 -2 2 1 4 26.36 5.73 3.3806 -1 2 2 4 26.54 4.54 3.3585 2 2 1 4 26.64 3.29 3.3464 1 2 2 4 26.76 14.55 3.3309 1 3 0 4 26.80 22.71 3.3269 0 3 1 4 28.60 88.68 3.1211 3 1 0 4 28.88 100.00 3.0920 0 1 3 4 29.90 5.98 2.9888 -3 1 1 4 30.13 7.73 2.9660 -1 1 3 4 30.26 16.67 2.9534 3 1 1 4 30.49 1.73 2.9314 1 1 3 4 32.50 5.44 2.7547 -1 3 2 4 32.73 7.55 2.7361 1 3 2 4 32.74 1.75 2.7353 -3 0 2 2 33.35 95.50 2.6869 -3 2 1 4 33.41 5.47 2.6817 3 0 2 2 33.56 26.90 2.6703 -1 2 3 4 33.68 95.13 2.6611 3 2 1 4 33.74 70.14 2.6565 0 4 0 2 33.84 18.77 2.6490 -3 1 2 4 33.89 16.72 2.6450 1 2 3 4 33.97 3.24 2.6390 -2 1 3 4 34.49 19.42 2.6002 3 1 2 4 34.62 3.80 2.5907 2 1 3 4 35.02 8.67 2.5621 0 4 1 4 36.17 4.81 2.4834 -2 3 2 4 36.19 3.83 2.4821 -1 4 1 4 36.29 1.96 2.4753 1 4 1 4 36.58 2.26 2.4562 2 3 2 4 36.70 13.01 2.4488 4 0 0 2 37.08 5.69 2.4242 -2 2 3 4 37.09 6.87 2.4239 0 0 4 2 37.68 28.43 2.3874 0 3 3 4 37.69 3.34 2.3866 2 2 3 4 38.05 8.46 2.3647 -1 0 4 2 38.08 19.13 2.3632 0 1 4 4 38.45 3.87 2.3413 1 0 4 2 38.49 1.17 2.3389 -3 3 1 4 38.55 4.99 2.3351 2 4 0 4 38.65 17.61 2.3296 0 4 2 4 38.97 1.11 2.3111 1 3 3 4 39.02 2.93 2.3083 -1 1 4 4 39.41 3.19 2.2864 1 1 4 4 39.61 9.14 2.2755 -2 4 1 4 39.68 1.98 2.2717 -1 4 2 4 39.74 1.37 2.2683 -3 1 3 4 39.80 9.10 2.2650 2 4 1 4 40.59 1.10 2.2225 3 1 3 4 40.93 7.67 2.2048 -4 0 2 2 41.20 6.71 2.1911 -2 0 4 2 41.68 7.04 2.1672 4 0 2 2 41.72 2.62 2.1649 -3 3 2 4 41.83 1.91 2.1595 -2 3 3 4 41.84 1.50 2.1588 -4 1 2 4 41.94 5.89 2.1542 2 0 4 2 42.27 6.31 2.1380 3 3 2 4 42.38 2.97 2.1328 2 3 3 4 42.57 1.21 2.1235 4 1 2 4 42.81 4.11 2.1122 -2 4 2 4 43.17 4.91 2.0954 2 4 2 4 43.60 2.71 2.0759 0 5 1 4 44.58 3.16 2.0327 -1 5 1 4 44.84 4.54 2.0212 -3 4 1 4 45.01 11.08 2.0141 -1 4 3 4 45.10 4.07 2.0101 3 4 1 4 45.27 10.54 2.0031 1 4 3 4 46.16 1.27 1.9664 -3 0 4 2 46.50 1.21 1.9531 1 3 4 4 46.78 1.16 1.9418 -3 3 3 4 46.85 1.49 1.9391 -4 1 3 4 46.99 7.61 1.9336 -3 1 4 4 47.17 2.62 1.9266 5 1 0 4 47.66 2.65 1.9082 2 5 1 4 47.67 2.97 1.9076 0 1 5 4 47.82 1.92 1.9020 -2 4 3 4 47.85 1.57 1.9009 4 1 3 4 47.99 9.02 1.8957 3 1 4 4 48.32 1.89 1.8837 2 4 3 4 48.42 2.85 1.8799 -1 1 5 4 48.64 1.59 1.8718 -4 3 2 4 48.83 2.25 1.8651 1 1 5 4 49.29 2.89 1.8489 -4 2 3 4 49.42 1.61 1.8442 -3 2 4 4 49.53 2.43 1.8405 2 3 4 4 50.25 1.39 1.8157 4 2 3 4 50.34 1.60 1.8126 -5 2 1 4 50.70 7.86 1.8005 4 4 0 4 50.80 8.59 1.7974 -1 2 5 4 51.19 4.25 1.7844 1 2 5 4 51.29 4.77 1.7811 3 5 0 4 51.46 8.13 1.7757 0 5 3 4 51.80 3.07 1.7650 2 1 5 4 52.10 2.85 1.7555 -3 5 1 4 52.33 2.66 1.7482 -3 4 3 4 52.33 5.45 1.7482 3 5 1 4 53.03 2.29 1.7270 3 4 3 4 53.15 1.69 1.7231 -4 3 3 4 53.28 11.97 1.7192 -3 3 4 4 53.31 1.31 1.7185 -4 1 4 4 53.45 1.27 1.7141 1 6 1 4 54.05 2.89 1.6966 -4 4 2 4 54.20 8.76 1.6924 3 3 4 4 54.27 1.23 1.6903 -2 4 4 4 54.52 1.96 1.6830 4 1 4 4 54.66 2.07 1.6793 4 4 2 4 54.87 1.34 1.6732 2 4 4 4 55.15 2.07 1.6655 2 6 0 4 55.22 1.44 1.6635 0 6 2 4 55.23 1.71 1.6631 2 5 3 4 56.00 1.84 1.6420 -1 6 2 4 56.15 2.04 1.6380 1 6 2 4 56.36 17.88 1.6325 6 0 0 2 56.99 9.38 1.6159 0 0 6 2 57.15 1.77 1.6117 -5 2 3 4 57.43 6.53 1.6045 -3 2 5 4 58.24 1.27 1.5841 5 2 3 4 58.33 1.79 1.5820 -1 1 6 4 58.52 4.59 1.5773 3 2 5 4 58.97 3.72 1.5662 0 4 5 4 60.10 7.62 1.5395 -3 6 1 4 60.24 1.64 1.5364 -1 6 3 4 60.31 6.76 1.5346 3 6 1 4 60.45 1.60 1.5315 1 6 3 4 60.78 1.19 1.5239 -5 1 4 4 60.94 1.43 1.5202 -3 3 5 4 61.07 1.64 1.5174 4 5 2 4 61.85 1.77 1.5001 1 7 0 4 61.87 1.25 1.4997 0 7 1 4 61.99 2.81 1.4970 3 3 5 4 62.18 2.40 1.4930 5 1 4 4 63.25 1.73 1.4701 0 3 6 4 63.27 1.21 1.4699 -6 3 1 4 63.68 1.32 1.4614 6 3 1 4 63.84 1.55 1.4580 -1 3 6 4 63.94 3.33 1.4560 -6 1 3 4 64.38 1.60 1.4471 -3 1 6 4 64.45 2.10 1.4456 -4 5 3 4 65.16 3.20 1.4316 6 1 3 4 65.27 1.54 1.4296 4 5 3 4 65.38 1.26 1.4274 3 5 4 4 65.41 1.63 1.4267 -5 4 3 4 65.60 1.47 1.4232 3 1 6 4 66.07 1.34 1.4142 1 5 5 4 66.32 1.11 1.4094 -4 3 5 4 66.42 2.03 1.4075 5 4 3 4 67.32 18.81 1.3909 6 4 0 4 67.89 10.87 1.3806 0 4 6 4 67.90 2.22 1.3803 -6 4 1 4 68.26 2.34 1.3740 0 7 3 4 68.30 2.03 1.3733 6 4 1 4 68.94 1.83 1.3622 -4 0 6 2 69.20 3.67 1.3576 -6 3 3 4 70.00 1.14 1.3440 -7 2 1 4 70.38 4.17 1.3378 6 3 3 4 70.54 1.16 1.3352 -2 4 6 4 70.96 2.48 1.3283 0 8 0 2 71.02 1.60 1.3273 -3 7 2 4 71.31 2.54 1.3225 2 4 6 4 71.40 1.93 1.3210 3 7 2 4 71.42 1.21 1.3208 5 2 5 4 71.72 2.23 1.3160 0 8 1 4 72.65 1.12 1.3014 7 3 0 4 72.83 1.23 1.2986 -1 6 5 4 73.94 2.08 1.2819 2 8 0 4 74.19 1.44 1.2782 -1 5 6 4 74.62 1.24 1.2718 -2 8 1 4 74.75 1.56 1.2700 2 8 1 4 75.22 1.31 1.2632 -7 3 2 4 75.62 1.72 1.2575 -7 2 3 4 76.10 1.03 1.2507 7 3 2 4 76.23 2.28 1.2490 -3 2 7 4 76.96 1.32 1.2389 2 5 6 4 77.55 1.93 1.2310 3 2 7 4 78.38 1.16 1.2200 -3 6 5 4 79.24 1.86 1.2089 -6 5 3 4 79.24 1.38 1.2089 -4 1 7 4 79.32 1.18 1.2079 3 6 5 4 80.36 1.30 1.1948 6 5 3 4 83.22 2.97 1.1609 -6 0 6 2 85.44 2.15 1.1364 6 0 6 2 88.08 1.36 1.1090 0 9 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.