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: ambient pressure _database_code_amcsd 0004631 CELL PARAMETERS: 10.0155 10.6051 9.8277 90.000 92.409 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1042.930 Density (g/cm3): 2.385 MAX. ABS. INTENSITY / VOLUME**2: 3.155777985 RIR: 0.431 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.84 5.69 10.0066 1 0 0 2 12.16 36.49 7.2781 1 1 0 4 12.28 9.54 7.2050 0 1 1 4 14.93 10.29 5.9345 -1 1 1 4 15.37 23.96 5.7634 1 1 1 4 16.72 2.68 5.3025 0 2 0 2 17.73 5.09 5.0033 2 0 0 2 18.07 49.91 4.9095 0 0 2 2 18.94 1.21 4.6854 1 2 0 4 19.02 17.16 4.6657 0 2 1 4 19.62 1.31 4.5250 2 1 0 4 19.81 8.04 4.4827 -1 0 2 2 19.93 12.23 4.4553 0 1 2 4 20.48 4.33 4.3361 1 0 2 2 20.85 85.71 4.2613 -1 2 1 4 21.17 34.59 4.1966 1 2 1 4 21.31 26.89 4.1703 -2 1 1 4 21.52 7.20 4.1290 -1 1 2 4 21.94 26.53 4.0515 2 1 1 4 22.15 10.09 4.0136 1 1 2 4 24.46 2.81 3.6391 2 2 0 4 24.71 3.33 3.6025 0 2 2 4 24.87 7.58 3.5803 -2 0 2 2 25.85 3.25 3.4468 -2 2 1 4 26.03 14.02 3.4233 -1 2 2 4 26.38 7.43 3.3788 2 2 1 4 26.55 5.82 3.3567 1 2 2 4 26.73 1.09 3.3355 3 0 0 2 26.75 27.11 3.3332 1 3 0 4 26.80 19.66 3.3260 0 3 1 4 28.04 99.56 3.1819 3 1 0 4 28.40 1.34 3.1429 1 3 1 4 28.54 99.82 3.1274 0 1 3 4 29.15 2.07 3.0631 -3 1 1 4 29.58 6.17 3.0198 -1 1 3 4 29.86 17.03 2.9919 3 1 1 4 30.12 1.03 2.9672 -2 2 2 4 31.18 2.27 2.8687 0 3 2 4 31.69 1.54 2.8234 3 2 0 4 31.79 3.60 2.8146 -3 0 2 2 32.14 1.72 2.7852 0 2 3 4 32.25 4.50 2.7758 -1 3 2 4 32.54 1.61 2.7519 2 3 1 4 32.68 10.01 2.7399 1 3 2 4 32.69 87.81 2.7395 -3 2 1 4 32.92 11.79 2.7204 -3 1 2 4 33.08 52.70 2.7083 -1 2 3 4 33.10 3.84 2.7066 3 0 2 2 33.17 6.00 2.7012 -2 1 3 4 33.33 100.00 2.6882 3 2 1 4 33.71 20.95 2.6587 1 2 3 4 33.81 47.67 2.6513 0 4 0 2 34.19 30.78 2.6226 3 1 2 4 34.42 4.80 2.6054 2 1 3 4 35.06 3.32 2.5596 0 4 1 4 35.69 10.95 2.5155 -2 3 2 4 35.90 6.15 2.5017 4 0 0 2 36.13 5.04 2.4863 -1 4 1 4 36.32 1.64 2.4733 1 4 1 4 36.35 2.69 2.4714 -2 2 3 4 36.48 4.08 2.4627 2 3 2 4 36.61 5.77 2.4548 0 0 4 2 37.45 14.58 2.4017 0 3 3 4 37.61 1.86 2.3915 0 1 4 4 37.70 4.42 2.3862 -4 1 1 4 38.34 6.44 2.3479 -1 1 4 4 38.59 22.08 2.3328 0 4 2 4 38.67 2.27 2.3286 -3 1 3 4 39.36 2.15 2.2889 -2 4 1 4 39.73 5.93 2.2687 2 4 1 4 39.84 1.34 2.2625 4 2 0 4 40.24 10.10 2.2414 -2 0 4 2 41.16 3.56 2.1929 -2 1 4 4 41.18 4.59 2.1922 -1 2 4 4 41.18 11.42 2.1920 4 0 2 2 41.29 1.26 2.1866 4 2 1 4 41.49 1.01 2.1765 -3 2 3 4 41.66 1.87 2.1681 2 0 4 2 41.88 2.85 2.1570 1 2 4 4 42.04 6.79 2.1490 3 3 2 4 42.24 2.65 2.1396 2 3 3 4 42.42 6.86 2.1307 -2 4 2 4 43.11 5.05 2.0983 2 4 2 4 43.62 4.01 2.0749 1 5 0 4 43.66 5.14 2.0732 0 5 1 4 43.95 2.14 2.0602 0 4 3 4 44.36 2.27 2.0420 4 3 0 4 44.37 8.13 2.0415 -3 4 1 4 44.67 13.06 2.0285 -1 4 3 4 44.74 1.11 2.0257 4 2 2 4 44.92 1.25 2.0180 -3 0 4 2 45.17 12.52 2.0074 1 4 3 4 45.18 1.07 2.0068 2 2 4 4 45.31 1.01 2.0013 5 0 0 2 45.77 6.09 1.9824 -3 1 4 4 46.16 4.64 1.9666 5 1 0 4 47.06 6.35 1.9310 0 1 5 4 47.31 2.38 1.9213 -2 5 1 4 47.44 3.63 1.9164 4 1 3 4 47.53 1.04 1.9132 5 1 1 4 47.59 2.68 1.9107 -1 1 5 4 47.63 2.01 1.9093 2 5 1 4 47.64 3.76 1.9088 -4 3 2 4 47.69 5.42 1.9070 3 1 4 4 48.01 1.82 1.8951 -4 2 3 4 48.37 3.86 1.8816 1 1 5 4 49.18 4.11 1.8527 -5 2 1 4 49.19 3.04 1.8522 -5 1 2 4 49.31 5.31 1.8482 2 3 4 4 50.00 3.17 1.8240 -1 2 5 4 50.14 16.35 1.8195 4 4 0 4 50.68 1.95 1.8012 0 4 4 4 50.75 1.25 1.7990 -4 4 1 4 50.76 5.15 1.7986 1 2 5 4 51.02 1.57 1.7901 -4 0 4 2 51.03 2.08 1.7898 3 5 0 4 51.33 12.35 1.7800 0 5 3 4 51.42 4.68 1.7770 2 1 5 4 51.52 1.25 1.7739 -3 4 3 4 51.55 1.19 1.7729 -5 2 2 4 51.72 2.04 1.7675 0 6 0 2 51.96 3.40 1.7598 -4 3 3 4 52.15 2.62 1.7538 3 5 1 4 52.19 20.31 1.7525 -3 3 4 4 52.55 1.17 1.7416 5 3 0 4 52.61 1.43 1.7396 0 6 1 4 52.85 1.98 1.7324 3 4 3 4 53.14 4.40 1.7234 -4 4 2 4 53.38 1.59 1.7164 4 0 4 2 53.39 2.03 1.7160 -1 6 1 4 53.54 3.60 1.7117 1 6 1 4 53.71 2.53 1.7066 2 2 5 4 53.72 2.52 1.7064 4 3 3 4 53.85 1.15 1.7024 -1 3 5 4 53.94 12.73 1.6997 3 3 4 4 54.30 2.56 1.6894 4 4 2 4 54.69 4.56 1.6783 2 4 4 4 55.06 21.77 1.6678 6 0 0 2 55.11 5.63 1.6666 2 6 0 4 55.16 1.24 1.6650 2 5 3 4 55.23 1.91 1.6630 0 6 2 4 55.92 1.40 1.6443 -1 6 2 4 56.09 9.02 1.6398 -3 2 5 4 56.20 1.26 1.6368 1 6 2 4 56.21 8.96 1.6365 0 0 6 2 57.17 1.14 1.6114 -4 4 3 4 57.33 5.06 1.6072 -1 1 6 4 57.38 1.04 1.6058 2 3 5 4 57.48 4.08 1.6033 -4 5 1 4 57.62 2.96 1.5998 -6 0 2 2 57.67 1.99 1.5984 5 2 3 4 58.17 3.57 1.5859 3 2 5 4 58.19 1.03 1.5855 -3 5 3 4 58.49 1.72 1.5781 0 4 5 4 58.49 1.99 1.5779 1 5 4 4 58.95 1.93 1.5667 -5 1 4 4 59.77 6.62 1.5471 -3 6 1 4 60.02 2.73 1.5415 -1 6 3 4 60.18 6.95 1.5377 3 6 1 4 60.42 1.29 1.5321 1 6 3 4 61.64 2.77 1.5048 5 1 4 4 61.67 1.17 1.5041 3 3 5 4 61.88 2.99 1.4994 -6 3 1 4 61.95 1.93 1.4979 1 7 0 4 61.98 1.25 1.4973 0 7 1 4 62.00 6.42 1.4968 -6 1 3 4 62.54 3.13 1.4851 0 3 6 4 62.92 3.15 1.4772 -1 3 6 4 63.44 1.98 1.4662 -4 5 3 4 64.00 1.47 1.4549 -5 4 3 4 64.35 4.03 1.4477 6 1 3 4 64.72 3.39 1.4404 -4 3 5 4 65.00 4.11 1.4349 4 5 3 4 65.14 1.62 1.4321 3 1 6 4 65.93 2.99 1.4169 5 4 3 4 66.20 19.06 1.4117 6 4 0 4 66.35 1.34 1.4088 6 2 3 4 66.43 1.19 1.4074 -5 5 2 4 66.88 1.00 1.3989 3 6 3 4 67.00 2.27 1.3967 -4 0 6 2 67.03 1.19 1.3962 -2 5 5 4 67.23 17.38 1.3926 0 4 6 4 67.35 1.52 1.3904 6 4 1 4 67.36 3.64 1.3901 -6 3 3 4 68.13 1.72 1.3763 -3 3 6 4 68.21 2.07 1.3749 0 7 3 4 68.23 2.54 1.3745 -7 2 1 4 68.90 1.45 1.3627 3 7 1 4 69.62 3.88 1.3505 6 3 3 4 70.37 3.13 1.3379 3 3 6 4 70.60 4.61 1.3340 -3 7 2 4 70.89 1.54 1.3294 2 4 6 4 70.89 1.11 1.3293 5 2 5 4 71.12 2.17 1.3256 2 1 7 4 71.12 3.20 1.3256 0 8 0 2 71.14 5.00 1.3253 7 3 0 4 71.34 4.54 1.3220 3 7 2 4 71.86 2.83 1.3137 0 8 1 4 72.50 2.38 1.3038 0 3 7 4 73.25 2.24 1.2922 -7 3 2 4 73.35 3.81 1.2907 -7 2 3 4 73.37 2.20 1.2904 -1 5 6 4 73.97 4.75 1.2814 2 8 0 4 74.45 4.47 1.2744 -3 2 7 4 74.95 2.09 1.2671 7 3 2 4 75.10 1.28 1.2649 3 1 7 4 75.13 1.21 1.2645 -2 5 6 4 75.89 1.94 1.2537 7 2 3 4 76.17 1.98 1.2498 2 3 7 4 76.57 1.21 1.2443 2 5 6 4 76.97 3.05 1.2388 3 2 7 4 77.06 4.21 1.2375 -4 1 7 4 77.13 1.42 1.2366 2 8 2 4 77.31 2.22 1.2342 -3 6 5 4 77.54 5.64 1.2311 -6 5 3 4 78.24 1.01 1.2219 -1 8 3 4 78.26 1.76 1.2215 -3 5 6 4 79.03 1.17 1.2116 -3 7 4 4 79.09 2.65 1.2108 3 6 5 4 79.68 3.24 1.2034 6 5 3 4 80.40 1.04 1.1944 3 5 6 4 80.48 2.77 1.1934 -6 0 6 2 82.32 1.36 1.1713 4 8 0 4 82.49 1.25 1.1693 6 6 2 4 84.71 2.94 1.1443 6 0 6 2 85.99 1.86 1.1305 2 5 7 4 87.03 1.22 1.1196 3 7 5 4 88.11 3.90 1.1087 0 9 3 4 88.15 1.36 1.1083 7 2 5 4 89.62 2.38 1.0939 -7 1 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.