Gaidonnayite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140540 Chao G Y The Canadian Mineralogist 23 (1985) 11-15 The crystal structure of gaidonnayite Na2ZrSi3O9.2H2O Locality: Mont St. Hilaire, Quebec, Canada _database_code_amcsd 0005201 CELL PARAMETERS: 11.7000 12.8000 6.6610 90.000 90.000 90.000 SPACE GROUP: P2_1nb ATOM X Y Z OCCUPANCY ISO(B) Na 0.74660 0.15670 0.43070 1.000 2.872 Na -0.00410 0.38760 0.33160 1.000 2.731 Zr 0.25000 0.05310 0.15100 1.000 1.138 Si 0.28090 0.28830 0.39270 1.000 0.885 Si 0.49810 0.41800 0.39110 1.000 1.036 Si 0.71440 0.39180 0.15010 1.000 0.994 O 0.21160 0.39520 0.36440 1.000 1.163 O 0.41730 0.31550 0.41860 1.000 1.207 O 0.74170 0.26990 0.10170 1.000 1.166 O 0.26540 0.20960 0.20650 1.000 1.545 O 0.42250 0.01940 0.15620 1.000 1.359 O 0.57590 0.39400 0.19600 1.000 1.521 O 0.07430 0.07060 0.08980 1.000 1.173 O 0.23980 0.03610 0.45830 1.000 0.790 O 0.78170 0.42580 0.34740 1.000 1.259 Wa 0.53970 0.13260 0.47390 1.000 2.675 Wa 0.95580 0.19910 0.38210 1.000 2.558 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 11 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 8.978882223 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.84 28.76 6.4000 0 2 0 14.99 57.62 5.9088 0 1 1 15.15 99.32 5.8500 2 0 0 15.31 69.56 5.7886 1 0 1 15.78 67.88 5.6149 1 2 0 16.81 8.57 5.2744 1 1 1 19.23 6.97 4.6150 0 2 1 20.57 10.22 4.3179 2 2 0 20.69 26.90 4.2931 1 2 1 21.37 5.92 4.1572 2 1 1 24.57 16.79 3.6233 2 2 1 24.78 11.81 3.5928 0 3 1 25.94 27.68 3.4345 1 3 1 26.48 16.76 3.3656 3 0 1 26.77 14.81 3.3304 3 2 0 27.40 2.96 3.2549 3 1 1 27.68 5.54 3.2232 0 1 2 27.88 3.09 3.2000 0 4 0 28.73 100.00 3.1074 1 1 2 28.93 74.89 3.0866 1 4 0 29.17 1.80 3.0615 2 3 1 30.00 7.66 2.9788 3 2 1 30.25 2.42 2.9544 0 2 2 30.56 82.99 2.9250 4 0 0 30.90 1.93 2.8943 2 0 2 31.00 1.30 2.8844 0 4 1 31.22 14.14 2.8645 1 2 2 31.70 21.48 2.8230 2 1 2 31.88 15.63 2.8074 2 4 0 31.96 14.99 2.8006 1 4 1 33.69 3.92 2.6603 4 2 0 33.93 14.80 2.6424 3 3 1 34.15 5.06 2.6254 0 3 2 34.21 4.91 2.6214 4 1 1 34.67 17.24 2.5870 2 4 1 35.03 3.42 2.5617 1 3 2 36.15 12.46 2.4845 3 1 2 36.31 7.06 2.4738 3 4 0 37.55 14.66 2.3952 2 3 2 38.83 1.20 2.3191 3 4 1 39.74 3.79 2.2683 4 3 1 40.79 1.25 2.2122 2 5 1 40.88 3.49 2.2077 5 0 1 41.07 2.26 2.1977 5 2 0 41.27 20.17 2.1877 0 1 3 41.51 1.89 2.1756 5 1 1 42.02 3.79 2.1504 1 1 3 42.37 4.06 2.1333 0 6 0 43.10 9.85 2.0987 1 6 0 43.36 7.94 2.0870 5 2 1 43.85 2.82 2.0648 1 2 3 44.20 7.03 2.0491 2 1 3 44.60 11.28 2.0317 0 6 1 44.65 8.16 2.0297 0 5 2 45.24 2.30 2.0042 2 6 0 45.35 6.50 1.9998 1 5 2 46.08 1.69 1.9696 0 3 3 46.30 6.02 1.9608 5 3 1 46.57 10.97 1.9500 6 0 0 46.77 5.65 1.9423 1 3 3 47.37 2.80 1.9192 2 6 1 47.41 6.93 1.9175 2 5 2 48.05 20.37 1.8936 5 1 2 48.18 16.07 1.8889 5 4 0 48.65 6.87 1.8716 3 6 0 48.79 2.79 1.8666 2 3 3 48.82 2.10 1.8653 6 2 0 49.20 1.77 1.8518 6 1 1 49.24 1.82 1.8506 4 5 1 49.33 1.90 1.8474 3 2 3 49.70 4.21 1.8343 5 2 2 50.20 2.85 1.8172 5 4 1 50.66 1.16 1.8018 3 6 1 50.70 1.24 1.8005 3 5 2 50.83 5.08 1.7962 6 2 1 51.47 1.05 1.7756 1 6 2 51.85 5.44 1.7633 0 7 1 52.02 6.47 1.7581 3 3 3 52.21 14.38 1.7519 4 1 3 52.48 3.47 1.7436 1 7 1 52.55 3.13 1.7415 2 4 3 53.14 3.58 1.7236 4 6 0 53.46 1.55 1.7138 6 3 1 54.34 1.83 1.6883 2 7 1 55.03 6.52 1.6686 4 6 1 55.04 3.72 1.6684 6 1 2 55.07 4.40 1.6675 4 5 2 55.15 7.64 1.6652 0 0 4 55.16 3.21 1.6652 6 4 0 55.33 10.92 1.6604 1 5 3 55.62 1.08 1.6524 3 4 3 55.66 2.11 1.6513 0 1 4 56.26 2.69 1.6351 1 1 4 56.31 1.47 1.6337 4 3 3 56.79 3.46 1.6212 7 0 1 56.94 2.46 1.6172 7 2 0 57.01 5.85 1.6155 6 4 1 57.13 1.80 1.6124 2 5 3 57.35 2.75 1.6067 3 7 1 57.55 2.66 1.6016 2 0 4 57.61 1.19 1.6000 0 8 0 57.75 2.48 1.5965 1 2 4 58.04 1.17 1.5892 2 1 4 58.08 5.05 1.5880 1 7 2 58.55 3.31 1.5765 5 6 0 58.75 1.92 1.5715 7 2 1 59.01 9.16 1.5654 6 3 2 59.15 1.84 1.5620 5 2 3 59.41 4.22 1.5557 0 8 1 59.94 1.90 1.5433 2 8 0 59.99 4.18 1.5422 1 8 1 60.04 4.73 1.5409 3 5 3 60.17 2.28 1.5378 1 3 4 60.92 1.87 1.5206 3 1 4 61.15 2.83 1.5155 7 3 1 61.39 5.06 1.5101 4 7 1 61.54 2.42 1.5069 5 3 3 61.69 1.56 1.5035 2 8 1 61.88 1.40 1.4995 2 3 4 62.34 1.01 1.4894 3 2 4 62.61 4.19 1.4838 7 1 2 62.66 2.14 1.4825 3 7 2 62.71 2.63 1.4815 7 4 0 63.47 5.49 1.4656 1 4 4 63.62 1.69 1.4625 8 0 0 63.96 2.55 1.4557 6 1 3 64.38 4.91 1.4472 4 0 4 64.48 2.35 1.4450 3 8 1 65.46 1.07 1.4257 8 2 0 65.78 1.16 1.4197 8 1 1 66.38 1.05 1.4083 5 7 1 66.46 2.12 1.4068 6 6 1 66.49 5.78 1.4062 6 5 2 66.52 1.42 1.4057 4 7 2 66.62 1.12 1.4037 4 8 0 66.75 5.42 1.4013 1 7 3 67.60 1.80 1.3857 6 3 3 67.84 1.99 1.3814 3 4 4 68.29 2.71 1.3735 4 8 1 68.37 3.35 1.3721 2 7 3 68.46 1.02 1.3705 4 3 4 68.87 4.92 1.3633 5 5 3 69.69 1.44 1.3492 5 1 4 70.72 2.20 1.3322 6 4 3 71.02 1.69 1.3273 3 7 3 71.32 3.18 1.3224 5 7 2 71.74 1.73 1.3157 7 6 0 71.93 1.20 1.3127 0 6 4 72.28 1.02 1.3072 7 2 3 72.87 1.32 1.2981 0 8 3 73.03 1.92 1.2955 5 8 1 73.20 1.16 1.2930 5 3 4 73.38 3.70 1.2902 7 5 2 74.45 2.90 1.2744 7 3 3 74.66 1.77 1.2712 4 7 3 74.94 1.40 1.2673 2 8 3 76.06 1.31 1.2513 9 2 1 76.13 1.07 1.2504 2 10 0 76.22 2.62 1.2491 5 4 4 77.11 1.48 1.2369 6 8 0 78.70 3.04 1.2158 8 1 3 79.26 2.81 1.2086 5 7 3 79.66 1.62 1.2036 2 4 5 80.14 1.56 1.1976 4 6 4 81.01 1.25 1.1870 8 6 1 81.04 1.20 1.1866 8 5 2 81.05 1.82 1.1865 4 8 3 81.25 1.59 1.1840 7 5 3 82.15 2.59 1.1733 2 9 3 85.03 1.59 1.1408 1 11 1 85.21 1.38 1.1388 7 8 1 85.65 2.20 1.1341 10 2 1 86.04 1.36 1.1300 0 6 5 87.97 1.15 1.1101 9 6 0 88.15 1.09 1.1083 4 9 3 88.29 1.24 1.1069 7 4 4 89.01 1.06 1.0998 3 11 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.