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 = 1.6 GPa _database_code_amcsd 0004632 CELL PARAMETERS: 9.8917 10.5948 9.7482 90.000 92.200 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1020.864 Density (g/cm3): 2.466 MAX. ABS. INTENSITY / VOLUME**2: 3.232239177 RIR: 0.427 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.95 2.45 9.8844 1 0 0 2 12.25 17.32 7.2274 1 1 0 4 12.34 14.36 7.1708 0 1 1 4 15.06 8.13 5.8838 -1 1 1 4 15.47 18.19 5.7278 1 1 1 4 17.95 2.87 4.9422 2 0 0 2 18.21 49.62 4.8705 0 0 2 2 19.07 14.85 4.6537 0 2 1 4 20.01 5.83 4.4370 -1 0 2 2 20.07 14.75 4.4253 0 1 2 4 20.64 2.84 4.3039 1 0 2 2 20.95 65.54 4.2405 -1 2 1 4 21.25 22.31 4.1810 1 2 1 4 21.55 19.86 4.1241 -2 1 1 4 21.72 8.60 4.0926 -1 1 2 4 22.13 26.64 4.0166 2 1 1 4 22.30 12.12 3.9875 1 1 2 4 24.64 4.57 3.6137 2 2 0 4 24.83 5.48 3.5854 0 2 2 4 25.17 7.00 3.5376 -2 0 2 2 26.06 3.07 3.4195 -2 2 1 4 26.18 1.05 3.4043 2 0 2 2 26.20 8.87 3.4015 -1 2 2 4 26.55 4.81 3.3575 2 2 1 4 26.56 1.08 3.3555 -2 1 2 4 26.69 5.92 3.3404 1 2 2 4 26.81 17.71 3.3257 1 3 0 4 26.85 23.95 3.3201 0 3 1 4 28.37 100.00 3.1462 3 1 0 4 28.76 97.74 3.1045 0 1 3 4 29.51 3.17 3.0265 -3 1 1 4 29.85 6.20 2.9934 -1 1 3 4 30.17 16.87 2.9623 3 1 1 4 30.50 1.45 2.9312 1 1 3 4 32.21 4.18 2.7790 -3 0 2 2 32.40 4.29 2.7632 -1 3 2 4 32.80 7.71 2.7301 1 3 2 4 33.02 92.25 2.7126 -3 2 1 4 33.32 40.85 2.6887 -1 2 3 4 33.33 10.85 2.6880 -3 1 2 4 33.41 4.02 2.6817 3 0 2 2 33.52 4.46 2.6734 -2 1 3 4 33.61 95.71 2.6661 3 2 1 4 33.84 65.42 2.6487 0 4 0 2 33.91 15.78 2.6434 1 2 3 4 34.50 23.62 2.5997 3 1 2 4 34.68 4.50 2.5864 2 1 3 4 35.11 4.09 2.5559 0 4 1 4 35.93 9.41 2.4993 -2 3 2 4 36.21 3.90 2.4806 -1 4 1 4 36.36 10.38 2.4711 4 0 0 2 36.40 1.63 2.4685 1 4 1 4 36.67 5.36 2.4510 2 3 2 4 36.69 4.92 2.4497 -2 2 3 4 36.91 4.26 2.4353 0 0 4 2 37.63 16.18 2.3903 0 3 3 4 37.91 9.19 2.3734 0 1 4 4 38.18 1.97 2.3569 -4 1 1 4 38.41 2.08 2.3437 1 0 4 2 38.56 4.68 2.3346 2 4 0 4 38.68 7.53 2.3276 -1 1 4 4 38.70 16.87 2.3269 0 4 2 4 39.13 1.84 2.3021 -3 1 3 4 39.37 1.67 2.2884 1 1 4 4 39.53 5.77 2.2797 -2 4 1 4 39.87 6.82 2.2610 2 4 1 4 40.27 1.28 2.2394 4 2 0 4 40.29 1.27 2.2386 -4 0 2 2 40.67 10.48 2.2185 -2 0 4 2 41.22 1.28 2.1903 -4 1 2 4 41.34 1.44 2.1839 -3 3 2 4 41.51 1.53 2.1754 -1 2 4 4 41.61 9.42 2.1703 4 0 2 2 41.70 1.24 2.1661 4 2 1 4 41.98 2.85 2.1520 2 0 4 2 42.32 5.75 2.1357 3 3 2 4 42.47 2.20 2.1284 2 3 3 4 42.64 5.91 2.1203 -2 4 2 4 43.28 5.57 2.0905 2 4 2 4 43.72 4.34 2.0705 0 5 1 4 44.64 1.06 2.0299 -1 5 1 4 44.65 7.84 2.0294 -3 4 1 4 44.89 12.29 2.0194 -1 4 3 4 45.11 1.90 2.0097 3 4 1 4 45.35 10.16 1.9999 1 4 3 4 45.50 1.13 1.9937 2 2 4 4 46.30 9.26 1.9609 -3 1 4 4 46.74 2.49 1.9433 5 1 0 4 47.45 4.51 1.9161 0 1 5 4 47.47 1.87 1.9153 -2 5 1 4 47.76 2.24 1.9042 2 5 1 4 47.88 2.45 1.8997 4 1 3 4 48.02 1.84 1.8945 -1 1 5 4 48.08 7.88 1.8925 3 1 4 4 48.12 2.83 1.8908 -4 3 2 4 48.58 2.88 1.8742 -4 2 3 4 48.75 2.43 1.8679 1 1 5 4 49.61 4.14 1.8377 2 3 4 4 49.78 2.51 1.8316 -5 2 1 4 49.86 1.96 1.8289 -5 1 2 4 50.43 5.09 1.8097 -1 2 5 4 50.51 9.14 1.8069 4 4 0 4 50.94 1.26 1.7927 0 4 4 4 51.13 3.74 1.7865 1 2 5 4 51.26 6.05 1.7822 3 5 0 4 51.50 9.52 1.7745 0 5 3 4 51.82 3.81 1.7642 2 1 5 4 51.91 1.32 1.7614 -3 4 3 4 51.97 1.24 1.7596 -3 5 1 4 52.38 3.66 1.7467 3 5 1 4 52.51 3.31 1.7428 -4 3 3 4 52.69 15.16 1.7372 -3 3 4 4 53.14 2.08 1.7234 3 4 3 4 53.48 1.22 1.7132 -1 6 1 4 53.60 3.89 1.7098 -4 4 2 4 53.62 2.02 1.7093 1 6 1 4 54.13 2.38 1.6943 4 3 3 4 54.31 10.83 1.6891 3 3 4 4 54.67 1.83 1.6787 4 4 2 4 54.98 2.57 1.6702 2 4 4 4 55.24 2.97 1.6629 2 6 0 4 55.34 1.93 1.6601 0 6 2 4 55.38 1.63 1.6591 2 5 3 4 55.80 19.72 1.6474 6 0 0 2 56.05 1.23 1.6406 -1 6 2 4 56.32 1.67 1.6336 1 6 2 4 56.69 6.72 1.6238 -3 2 5 4 56.70 9.51 1.6235 0 0 6 2 57.42 1.45 1.6048 0 1 6 4 57.86 2.34 1.5936 -1 1 6 4 57.87 2.37 1.5935 -4 5 1 4 58.23 1.39 1.5845 5 2 3 4 58.45 1.90 1.5791 -6 0 2 2 58.62 3.63 1.5749 3 2 5 4 58.74 1.24 1.5718 1 5 4 4 58.84 3.38 1.5694 0 4 5 4 59.75 2.62 1.5477 -5 1 4 4 60.03 6.41 1.5412 -3 6 1 4 60.22 2.20 1.5368 -1 6 3 4 60.25 2.42 1.5361 -3 3 5 4 60.40 7.06 1.5326 3 6 1 4 60.59 1.13 1.5282 1 6 3 4 62.03 2.13 1.4961 1 7 0 4 62.06 2.04 1.4956 0 7 1 4 62.11 2.00 1.4945 3 3 5 4 62.23 2.10 1.4918 5 1 4 4 62.62 2.39 1.4835 -6 3 1 4 62.89 4.07 1.4778 -6 1 3 4 63.02 2.25 1.4751 0 3 6 4 63.43 2.34 1.4664 -1 3 6 4 63.51 1.45 1.4648 -3 1 6 4 63.94 1.83 1.4559 -4 5 3 4 64.67 1.83 1.4414 -5 4 3 4 65.06 2.98 1.4336 6 1 3 4 65.39 2.50 1.4273 4 5 3 4 65.43 2.58 1.4264 -4 3 5 4 65.68 2.21 1.4217 3 1 6 4 66.46 2.56 1.4069 5 4 3 4 66.88 19.38 1.3989 6 4 0 4 67.31 1.10 1.3911 -6 4 1 4 67.69 11.73 1.3842 0 4 6 4 67.84 1.59 1.3814 -4 0 6 2 68.01 1.50 1.3784 6 4 1 4 68.22 3.27 1.3747 -6 3 3 4 68.38 2.50 1.3718 0 7 3 4 69.17 1.50 1.3582 -7 2 1 4 70.31 3.93 1.3389 6 3 3 4 70.90 2.81 1.3292 -3 7 2 4 70.90 1.51 1.3292 3 3 6 4 71.20 2.41 1.3243 0 8 0 2 71.36 1.74 1.3217 2 4 6 4 71.59 2.59 1.3181 3 7 2 4 71.72 1.15 1.3160 2 1 7 4 71.95 2.31 1.3123 0 8 1 4 72.03 2.53 1.3111 7 3 0 4 73.09 2.04 1.2947 0 3 7 4 73.48 1.04 1.2887 0 5 6 4 73.87 1.63 1.2829 -1 5 6 4 74.12 3.36 1.2792 2 8 0 4 74.23 1.81 1.2775 -7 3 2 4 74.41 2.93 1.2749 -7 2 3 4 75.27 3.58 1.2625 -3 2 7 4 75.81 1.34 1.2549 7 3 2 4 76.76 1.22 1.2416 2 3 7 4 76.77 1.43 1.2415 7 2 3 4 77.62 2.49 1.2301 3 2 7 4 77.86 2.01 1.2269 -3 6 5 4 78.03 2.52 1.2247 -4 1 7 4 78.37 3.19 1.2202 -6 5 3 4 79.52 1.79 1.2054 3 6 5 4 80.36 1.72 1.1949 6 5 3 4 81.65 2.63 1.1792 -6 0 6 2 82.67 1.08 1.1673 4 8 0 4 85.59 2.25 1.1348 6 0 6 2 86.59 1.26 1.1242 2 5 7 4 87.46 1.04 1.1152 3 7 5 4 88.31 1.50 1.1067 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.