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 = 0 after decompression _database_code_amcsd 0004634 CELL PARAMETERS: 10.0264 10.6094 9.8377 90.000 92.369 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1045.582 Density (g/cm3): 2.402 MAX. ABS. INTENSITY / VOLUME**2: 3.307931594 RIR: 0.449 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.83 3.20 10.0178 1 0 0 2 12.15 26.20 7.2838 1 1 0 4 12.28 9.03 7.2104 0 1 1 4 14.92 9.47 5.9382 -1 1 1 4 15.36 21.21 5.7698 1 1 1 4 17.71 3.89 5.0089 2 0 0 2 18.05 63.57 4.9146 0 0 2 2 18.93 2.86 4.6880 1 2 0 4 19.01 12.52 4.6683 0 2 1 4 19.79 7.14 4.4862 -1 0 2 2 19.91 8.10 4.4594 0 1 2 4 20.45 2.75 4.3419 1 0 2 2 20.83 80.42 4.2635 -1 2 1 4 21.15 32.19 4.1999 1 2 1 4 21.29 23.36 4.1734 -2 1 1 4 21.91 22.36 4.0565 2 1 1 4 22.12 4.76 4.0184 1 1 2 4 24.44 1.47 3.6419 2 2 0 4 24.69 2.70 3.6052 0 2 2 4 24.85 2.25 3.5829 -2 0 2 2 25.83 3.48 3.4490 -2 2 1 4 26.01 10.96 3.4255 -1 2 2 4 26.25 1.13 3.3945 -2 1 2 4 26.35 7.55 3.3821 2 2 1 4 26.53 4.97 3.3599 1 2 2 4 26.73 24.90 3.3348 1 3 0 4 26.79 15.62 3.3276 0 3 1 4 27.27 1.84 3.2703 2 1 2 4 28.01 100.00 3.1852 3 1 0 4 28.14 1.74 3.1713 -1 3 1 4 28.38 1.18 3.1448 1 3 1 4 28.51 93.84 3.1305 0 1 3 4 29.13 3.95 3.0658 -3 1 1 4 29.56 6.53 3.0222 -1 1 3 4 29.83 14.31 2.9957 3 1 1 4 30.10 1.67 2.9691 -2 2 2 4 30.95 1.33 2.8890 2 3 0 4 31.16 1.74 2.8705 0 3 2 4 31.66 2.53 2.8260 3 2 0 4 31.77 3.89 2.8167 -3 0 2 2 32.11 1.65 2.7876 0 2 3 4 32.23 4.38 2.7773 -1 3 2 4 32.51 1.68 2.7540 2 3 1 4 32.66 11.76 2.7420 1 3 2 4 32.66 70.20 2.7415 -3 2 1 4 32.90 15.84 2.7224 -3 1 2 4 33.05 2.94 2.7104 3 0 2 2 33.05 52.71 2.7103 -1 2 3 4 33.14 5.65 2.7031 -2 1 3 4 33.29 96.61 2.6911 3 2 1 4 33.67 15.23 2.6615 1 2 3 4 33.79 37.81 2.6523 0 4 0 2 34.14 26.26 2.6261 3 1 2 4 34.38 3.46 2.6088 2 1 3 4 35.04 2.75 2.5608 0 4 1 4 35.67 9.13 2.5169 -2 3 2 4 35.86 5.51 2.5045 4 0 0 2 36.11 3.40 2.4874 -1 4 1 4 36.30 2.06 2.4746 1 4 1 4 36.33 3.58 2.4730 -2 2 3 4 36.45 3.48 2.4650 2 3 2 4 36.57 4.17 2.4573 0 0 4 2 37.42 12.56 2.4035 0 3 3 4 37.66 4.68 2.3884 -4 1 1 4 38.30 7.03 2.3499 -1 1 4 4 38.57 20.28 2.3341 0 4 2 4 38.64 2.00 2.3302 -3 1 3 4 39.34 1.17 2.2901 -2 4 1 4 39.70 5.41 2.2702 2 4 1 4 39.80 1.53 2.2647 4 2 0 4 40.20 8.68 2.2431 -2 0 4 2 41.12 9.62 2.1950 4 0 2 2 41.13 4.07 2.1946 -2 1 4 4 41.14 4.91 2.1940 -1 2 4 4 41.24 1.59 2.1891 4 2 1 4 41.83 2.01 2.1593 1 2 4 4 42.00 5.69 2.1513 3 3 2 4 42.19 2.81 2.1417 2 3 3 4 42.40 4.78 2.1318 -2 4 2 4 43.08 2.73 2.1000 2 4 2 4 43.60 2.87 2.0758 1 5 0 4 43.64 5.09 2.0741 0 5 1 4 44.32 2.50 2.0438 4 3 0 4 44.35 6.21 2.0427 -3 4 1 4 44.65 14.36 2.0297 -1 4 3 4 44.68 1.70 2.0282 4 2 2 4 44.83 1.11 2.0216 3 4 1 4 44.88 2.48 2.0194 -3 0 4 2 45.00 2.02 2.0146 -4 3 1 4 45.13 1.27 2.0092 2 2 4 4 45.13 11.30 2.0089 1 4 3 4 45.74 3.74 1.9838 -3 1 4 4 46.11 3.99 1.9688 5 1 0 4 47.01 7.80 1.9330 0 1 5 4 47.37 2.57 1.9190 4 1 3 4 47.54 1.75 1.9125 -1 1 5 4 47.60 1.65 1.9104 2 5 1 4 47.61 2.73 1.9101 -4 3 2 4 47.62 3.74 1.9095 3 1 4 4 47.97 1.51 1.8965 -4 2 3 4 48.31 4.31 1.8838 1 1 5 4 49.13 4.79 1.8544 -5 2 1 4 49.15 2.09 1.8538 -5 1 2 4 49.25 3.87 1.8501 2 3 4 4 49.96 1.08 1.8256 -1 2 5 4 50.09 11.94 1.8210 4 4 0 4 50.64 2.93 1.8026 0 4 4 4 50.70 2.24 1.8005 1 2 5 4 50.98 1.29 1.7914 -4 0 4 2 50.99 1.70 1.7909 3 5 0 4 51.30 8.62 1.7810 0 5 3 4 51.35 3.51 1.7792 2 1 5 4 51.70 1.68 1.7682 0 6 0 2 51.92 1.65 1.7610 -4 3 3 4 52.11 2.15 1.7551 3 5 1 4 52.16 15.42 1.7537 -3 3 4 4 52.79 1.68 1.7341 3 4 3 4 53.11 4.51 1.7245 -4 4 2 4 53.30 1.46 1.7189 4 0 4 2 53.51 2.61 1.7125 1 6 1 4 53.64 2.63 1.7086 2 2 5 4 53.65 1.52 1.7084 4 3 3 4 53.88 9.55 1.7017 3 3 4 4 54.24 1.75 1.6910 4 4 2 4 54.28 1.38 1.6901 -2 5 3 4 54.63 5.91 1.6800 2 4 4 4 55.00 19.00 1.6696 6 0 0 2 55.08 3.64 1.6674 2 6 0 4 55.12 1.75 1.6663 2 5 3 4 55.21 2.04 1.6638 0 6 2 4 55.89 1.20 1.6451 -1 6 2 4 56.04 6.20 1.6409 -3 2 5 4 56.14 6.84 1.6382 0 0 6 2 56.17 1.62 1.6376 1 6 2 4 56.87 1.66 1.6190 0 1 6 4 57.13 1.09 1.6124 -4 4 3 4 57.27 3.37 1.6087 -1 1 6 4 57.44 2.28 1.6043 -4 5 1 4 57.56 1.39 1.6012 -6 0 2 2 57.59 2.30 1.6005 5 2 3 4 58.09 2.71 1.5880 3 2 5 4 58.43 1.69 1.5794 0 4 5 4 58.44 1.55 1.5791 1 5 4 4 58.91 1.98 1.5678 -5 1 4 4 59.74 5.52 1.5479 -3 6 1 4 59.98 3.45 1.5422 -1 6 3 4 60.14 4.72 1.5387 3 6 1 4 60.38 1.50 1.5331 1 6 3 4 61.54 2.47 1.5069 5 1 4 4 61.82 1.77 1.5008 -6 3 1 4 61.92 1.00 1.4986 1 7 0 4 61.95 4.90 1.4980 -6 1 3 4 62.48 1.50 1.4865 0 3 6 4 62.86 3.44 1.4784 -1 3 6 4 63.40 1.85 1.4671 -4 5 3 4 63.95 1.47 1.4558 -5 4 3 4 64.26 3.29 1.4496 6 1 3 4 64.67 2.70 1.4413 -4 3 5 4 64.93 3.87 1.4363 4 5 3 4 65.04 1.82 1.4340 3 1 6 4 65.84 2.82 1.4185 5 4 3 4 66.13 14.60 1.4130 6 4 0 4 66.38 1.13 1.4083 -5 5 2 4 67.16 12.06 1.3938 0 4 6 4 67.31 2.90 1.3911 -6 3 3 4 68.07 1.60 1.3773 -3 3 6 4 68.16 1.82 1.3759 -7 2 1 4 68.17 1.28 1.3756 0 7 3 4 69.52 2.86 1.3522 6 3 3 4 70.28 2.47 1.3395 3 3 6 4 70.56 3.48 1.3347 -3 7 2 4 71.02 1.50 1.3273 2 1 7 4 71.06 3.56 1.3266 7 3 0 4 71.09 2.27 1.3262 0 8 0 2 71.29 3.63 1.3229 3 7 2 4 71.83 1.42 1.3143 0 8 1 4 72.41 2.24 1.3051 0 3 7 4 73.18 1.49 1.2933 -7 3 2 4 73.28 2.81 1.2917 -7 2 3 4 73.31 1.48 1.2914 -1 5 6 4 73.93 2.98 1.2820 2 8 0 4 74.38 2.83 1.2754 -3 2 7 4 74.85 1.21 1.2686 7 3 2 4 75.78 1.32 1.2553 7 2 3 4 76.07 1.44 1.2512 2 3 7 4 76.68 1.08 1.2427 2 7 4 4 76.86 2.10 1.2403 3 2 7 4 76.99 3.10 1.2385 -4 1 7 4 77.08 1.84 1.2373 2 8 2 4 77.25 1.19 1.2350 -3 6 5 4 77.48 3.72 1.2320 -6 5 3 4 78.20 1.56 1.2223 -3 5 6 4 78.58 1.09 1.2174 5 6 3 4 79.01 1.23 1.2119 3 6 5 4 79.58 2.22 1.2047 6 5 3 4 80.41 1.92 1.1943 -6 0 6 2 84.56 2.24 1.1459 6 0 6 2 85.88 1.20 1.1316 2 5 7 4 88.06 2.38 1.1092 0 9 3 4 89.54 1.41 1.0947 -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.