Gaidonnayite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070472 Chao G Y The Canadian Mineralogist 23 (1985) 11-15 The crystal structure of gaidonnayite Na2ZrSi3O9.2H2O CELL PARAMETERS: 11.7500 12.8400 6.6920 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 2.895 Na -0.00410 0.38760 0.33160 1.000 2.753 Zr 0.25000 0.05310 0.15100 1.000 1.148 Si 0.28090 0.28830 0.39270 1.000 0.893 Si 0.49810 0.41800 0.39110 1.000 1.044 Si 0.71440 0.39180 0.15010 1.000 1.002 O 0.21160 0.39520 0.36440 1.000 1.173 O 0.41730 0.31550 0.41860 1.000 1.218 O 0.74170 0.26990 0.10170 1.000 1.176 O 0.26540 0.20960 0.20650 1.000 1.557 O 0.42250 0.01940 0.15620 1.000 1.370 O 0.57590 0.39400 0.19600 1.000 1.533 O 0.07430 0.07060 0.08980 1.000 1.182 O 0.23980 0.03610 0.45830 1.000 0.797 O 0.78170 0.42580 0.34740 1.000 1.269 Wa 0.53970 0.13260 0.47390 1.000 2.698 Wa 0.95580 0.19910 0.38210 1.000 2.578 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 11 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 8.875767340 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.79 28.60 6.4200 0 2 0 14.93 57.48 5.9344 0 1 1 15.08 99.07 5.8750 2 0 0 15.24 69.42 5.8150 1 0 1 15.73 67.58 5.6339 1 2 0 16.74 8.56 5.2971 1 1 1 19.16 6.96 4.6328 0 2 1 20.49 10.19 4.3341 2 2 0 20.61 26.81 4.3099 1 2 1 21.28 5.91 4.1751 2 1 1 24.47 16.74 3.6378 2 2 1 24.69 11.77 3.6056 0 3 1 25.85 27.59 3.4470 1 3 1 26.37 16.74 3.3803 3 0 1 26.66 14.78 3.3436 3 2 0 27.28 2.97 3.2689 3 1 1 27.55 5.55 3.2379 0 1 2 27.79 3.07 3.2100 0 4 0 28.60 100.00 3.1215 1 1 2 28.83 74.61 3.0965 1 4 0 29.06 1.80 3.0730 2 3 1 29.87 7.65 2.9910 3 2 1 30.12 2.42 2.9672 0 2 2 30.43 82.97 2.9375 4 0 0 30.75 1.94 2.9075 2 0 2 30.90 1.30 2.8943 0 4 1 31.09 14.14 2.8769 1 2 2 31.55 21.49 2.8357 2 1 2 31.77 15.59 2.8169 2 4 0 31.84 14.95 2.8103 1 4 1 33.55 3.91 2.6712 4 2 0 33.79 14.79 2.6527 3 3 1 34.01 5.05 2.6361 0 3 2 34.06 4.90 2.6326 4 1 1 34.55 17.19 2.5963 2 4 1 34.88 3.43 2.5721 1 3 2 35.99 12.45 2.4955 3 1 2 36.18 7.03 2.4827 3 4 0 37.39 14.62 2.4051 2 3 2 38.68 1.20 2.3277 3 4 1 39.57 3.79 2.2774 4 3 1 40.64 1.25 2.2198 2 5 1 40.69 3.49 2.2173 5 0 1 40.89 2.26 2.2068 5 2 0 41.07 20.22 2.1977 0 1 3 41.32 1.89 2.1849 5 1 1 41.81 3.80 2.1603 1 1 3 42.23 4.05 2.1400 0 6 0 42.96 9.83 2.1054 1 6 0 43.17 7.95 2.0958 5 2 1 43.64 2.83 2.0740 1 2 3 43.99 7.05 2.0584 2 1 3 44.45 11.26 2.0383 0 6 1 44.47 8.16 2.0372 0 5 2 45.09 2.30 2.0108 2 6 0 45.17 6.51 2.0072 1 5 2 45.87 1.69 1.9781 0 3 3 46.11 6.03 1.9688 5 3 1 46.36 11.00 1.9583 6 0 0 46.56 5.66 1.9507 1 3 3 47.20 2.80 1.9257 2 6 1 47.22 6.93 1.9247 2 5 2 47.83 20.42 1.9019 5 1 2 47.98 16.08 1.8962 5 4 0 48.47 6.87 1.8780 3 6 0 48.56 2.79 1.8747 2 3 3 48.61 2.11 1.8731 6 2 0 48.98 1.78 1.8597 6 1 1 49.05 1.82 1.8574 4 5 1 49.10 1.91 1.8556 3 2 3 49.48 4.22 1.8422 5 2 2 49.99 2.86 1.8244 5 4 1 50.47 1.16 1.8081 3 6 1 50.50 1.24 1.8073 3 5 2 50.60 5.09 1.8038 6 2 1 51.27 1.06 1.7820 1 6 2 51.67 5.43 1.7690 0 7 1 51.78 6.48 1.7657 3 3 3 51.96 14.43 1.7597 4 1 3 52.30 3.46 1.7493 1 7 1 52.31 3.13 1.7488 2 4 3 52.94 3.58 1.7297 4 6 0 53.23 1.55 1.7209 6 3 1 54.14 1.83 1.6939 2 7 1 54.78 3.73 1.6757 6 1 2 54.82 6.52 1.6746 4 6 1 54.84 4.40 1.6740 4 5 2 54.88 7.68 1.6730 0 0 4 54.92 3.22 1.6718 6 4 0 55.09 10.94 1.6670 1 5 3 55.37 1.08 1.6593 3 4 3 55.38 2.12 1.6590 0 1 4 55.98 2.70 1.6427 1 1 4 56.05 1.48 1.6408 4 3 3 56.52 3.47 1.6281 7 0 1 56.68 2.47 1.6240 7 2 0 56.76 5.85 1.6219 6 4 1 56.88 1.80 1.6189 2 5 3 57.13 2.75 1.6122 3 7 1 57.26 2.67 1.6090 2 0 4 57.41 1.19 1.6050 0 8 0 57.46 2.49 1.6038 1 2 4 57.75 1.18 1.5965 2 1 4 57.86 5.04 1.5936 1 7 2 58.32 3.32 1.5823 5 6 0 58.48 1.92 1.5782 7 2 1 58.73 9.18 1.5720 6 3 2 58.87 1.85 1.5688 5 2 3 59.20 4.21 1.5607 0 8 1 59.73 1.90 1.5483 2 8 0 59.77 4.17 1.5471 1 8 1 59.78 4.74 1.5471 3 5 3 59.88 2.29 1.5447 1 3 4 60.62 1.88 1.5276 3 1 4 60.88 2.84 1.5217 7 3 1 61.16 5.06 1.5154 4 7 1 61.25 2.43 1.5134 5 3 3 61.47 1.56 1.5084 2 8 1 61.58 1.41 1.5061 2 3 4 62.03 1.01 1.4962 3 2 4 62.31 4.20 1.4902 7 1 2 62.41 2.14 1.4879 3 7 2 62.43 2.64 1.4875 7 4 0 63.17 5.50 1.4719 1 4 4 63.32 1.70 1.4688 8 0 0 63.64 2.56 1.4621 6 1 3 64.05 4.93 1.4538 4 0 4 64.24 2.34 1.4499 3 8 1 65.16 1.07 1.4318 8 2 0 65.47 1.16 1.4257 8 1 1 66.11 1.05 1.4133 5 7 1 66.17 2.13 1.4122 6 6 1 66.19 5.80 1.4118 6 5 2 66.25 1.41 1.4108 4 7 2 66.37 1.12 1.4085 4 8 0 66.47 5.42 1.4066 1 7 3 67.28 1.80 1.3917 6 3 3 67.51 1.99 1.3874 3 4 4 68.02 2.71 1.3783 4 8 1 68.07 3.35 1.3773 2 7 3 68.12 1.02 1.3765 4 3 4 68.55 4.93 1.3689 5 5 3 69.34 1.45 1.3553 5 1 4 70.38 2.21 1.3378 6 4 3 70.71 1.69 1.3323 3 7 3 71.01 3.18 1.3273 5 7 2 71.42 1.73 1.3207 7 6 0 71.59 1.20 1.3180 0 6 4 71.92 1.03 1.3129 7 2 3 72.56 1.32 1.3028 0 8 3 72.73 1.92 1.3001 5 8 1 72.83 1.17 1.2987 5 3 4 73.04 3.71 1.2955 7 5 2 74.08 2.90 1.2799 7 3 3 74.33 1.77 1.2761 4 7 3 74.62 1.40 1.2719 2 8 3 75.68 1.31 1.2566 9 2 1 75.83 2.63 1.2545 5 4 4 75.84 1.07 1.2544 2 10 0 76.78 1.48 1.2414 6 8 0 78.29 3.05 1.2212 8 1 3 78.89 2.81 1.2133 5 7 3 79.24 1.62 1.2089 2 4 5 79.75 1.56 1.2025 4 6 4 80.62 1.24 1.1916 8 6 1 80.64 1.20 1.1914 8 5 2 80.68 1.82 1.1909 4 8 3 80.85 1.59 1.1889 7 5 3 81.80 2.58 1.1775 2 9 3 84.69 1.58 1.1444 1 11 1 84.83 1.37 1.1430 7 8 1 85.20 2.20 1.1389 10 2 1 85.59 1.36 1.1347 0 6 5 87.53 1.15 1.1145 9 6 0 87.74 1.08 1.1124 4 9 3 87.82 1.24 1.1116 7 4 4 88.65 1.06 1.1033 3 11 1 89.60 1.54 1.0941 1 2 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.