Natrolite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040022 Peacor D R American Mineralogist 58 (1973) 676-680 High temperature, single-crystal X-Ray study of natrolite T = 25 C CELL PARAMETERS: 18.2955 18.6353 6.5813 90.000 90.000 90.000 SPACE GROUP: Fdd2 ATOM X Y Z OCCUPANCY ISO(B) Si 0.00000 0.00000 0.00000 1.000 0.520 Si 0.15327 0.21139 0.62286 1.000 0.480 Al 0.03740 0.09368 0.61540 1.000 0.490 Na 0.22070 0.03080 0.61760 1.000 1.340 O 0.02280 0.06830 0.86540 1.000 1.090 O 0.07020 0.18180 0.60940 1.000 0.650 O 0.09830 0.03510 0.50050 1.000 1.030 O 0.20640 0.15290 0.72550 1.000 1.020 O 0.18050 0.22750 0.39000 1.000 1.060 Wa 0.05630 0.18940 0.11090 1.000 1.810 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 16 +/- 17 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 5.909705214 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.56 58.78 6.5277 2 2 0 15.08 100.00 5.8768 1 1 1 19.05 27.54 4.6588 0 4 0 19.41 19.12 4.5739 4 0 0 20.25 37.07 4.3857 1 3 1 20.42 46.60 4.3497 3 1 1 21.40 28.89 4.1514 2 4 0 21.64 19.40 4.1059 4 2 0 24.52 1.33 3.6300 3 3 1 27.32 3.45 3.2638 4 4 0 27.94 41.99 3.1933 1 5 1 28.31 49.99 3.1520 5 1 1 28.77 14.48 3.1028 0 2 2 28.83 17.68 3.0964 2 0 2 30.39 1.90 2.9410 2 6 0 30.42 40.34 2.9384 2 2 2 30.85 3.50 2.8980 6 2 0 31.24 72.71 2.8634 3 5 1 31.46 66.60 2.8433 5 3 1 34.79 9.46 2.5788 2 4 2 34.94 13.21 2.5677 4 2 2 36.75 15.97 2.4458 1 7 1 37.33 15.09 2.4087 7 1 1 38.65 4.78 2.3294 0 8 0 38.86 10.56 2.3173 4 4 2 39.39 1.11 2.2877 3 7 1 39.40 3.54 2.2869 8 0 0 39.91 6.73 2.2587 0 6 2 39.94 1.30 2.2574 2 8 0 40.32 4.25 2.2366 6 0 2 40.62 2.31 2.2210 8 2 0 41.17 15.80 2.1928 2 6 2 41.50 5.65 2.1759 6 6 0 41.52 13.62 2.1748 6 2 2 44.06 1.76 2.0555 1 3 3 44.11 1.68 2.0529 8 4 0 44.14 1.52 2.0517 3 1 3 46.23 2.06 1.9637 1 9 1 46.35 4.22 1.9589 3 3 3 47.04 1.61 1.9318 9 1 1 48.40 5.95 1.8806 1 5 3 48.64 6.79 1.8720 5 1 3 49.51 2.13 1.8409 8 2 2 49.95 8.29 1.8260 2 10 0 50.54 9.31 1.8058 3 5 3 50.70 10.34 1.8007 5 3 3 50.86 7.97 1.7953 10 2 0 50.89 6.34 1.7944 7 7 1 52.09 5.95 1.7556 4 8 2 52.54 5.12 1.7418 8 4 2 52.66 3.23 1.7381 5 9 1 53.07 10.21 1.7258 4 10 0 53.18 3.39 1.7224 9 5 1 53.83 9.66 1.7029 10 4 0 54.64 4.13 1.6796 5 5 3 55.88 7.87 1.6453 0 0 4 56.30 4.53 1.6341 1 11 1 56.38 1.54 1.6319 8 8 0 56.40 2.68 1.6313 3 7 3 56.76 4.17 1.6220 7 3 3 56.77 7.49 1.6216 0 10 2 57.09 2.29 1.6133 6 8 2 57.33 2.52 1.6070 8 6 2 57.35 4.08 1.6065 11 1 1 57.65 6.68 1.5990 10 0 2 57.79 1.69 1.5954 2 2 4 58.00 1.27 1.5901 6 10 0 58.23 1.01 1.5843 3 11 1 58.56 1.58 1.5764 10 6 0 58.58 1.83 1.5758 7 9 1 58.85 2.34 1.5691 9 7 1 59.20 1.71 1.5608 11 3 1 60.23 2.54 1.5365 5 7 3 60.43 1.38 1.5318 7 5 3 60.53 3.45 1.5296 2 4 4 60.58 2.04 1.5284 4 10 2 60.63 4.05 1.5273 4 2 4 61.29 2.88 1.5124 10 4 2 61.82 1.69 1.5007 1 9 3 62.49 2.22 1.4863 9 1 3 63.24 3.04 1.4705 4 12 0 63.65 11.69 1.4620 8 8 2 63.65 2.57 1.4619 3 9 3 64.29 2.67 1.4490 12 4 0 64.94 1.52 1.4359 2 6 4 65.20 1.49 1.4308 6 2 4 65.71 1.01 1.4209 7 7 3 65.94 5.29 1.4166 9 9 1 67.47 2.89 1.3881 2 12 2 67.61 2.69 1.3856 4 6 4 67.77 3.22 1.3827 6 4 4 68.57 1.14 1.3686 12 6 0 68.58 1.43 1.3684 12 2 2 70.01 2.83 1.3439 0 8 4 70.02 1.03 1.3437 13 3 1 70.09 1.87 1.3425 4 12 2 70.41 1.05 1.3373 1 11 3 70.51 1.55 1.3356 8 0 4 70.87 4.46 1.3296 2 8 4 71.09 1.92 1.3261 12 4 2 71.34 4.12 1.3221 8 2 4 71.34 1.37 1.3220 11 1 3 71.57 1.59 1.3183 10 8 2 71.95 3.66 1.3124 6 6 4 72.22 2.55 1.3081 5 13 1 72.39 2.50 1.3055 10 10 0 72.44 3.50 1.3047 7 9 3 72.68 2.97 1.3009 9 7 3 72.99 1.04 1.2962 11 3 3 73.33 2.82 1.2910 13 5 1 74.36 1.21 1.2756 6 12 2 75.19 1.36 1.2637 12 6 2 77.01 1.16 1.2383 1 5 5 77.19 1.20 1.2358 5 1 5 78.39 3.73 1.2199 6 14 0 78.53 3.91 1.2181 1 15 1 78.67 2.56 1.2162 3 5 5 78.79 2.38 1.2147 5 3 5 78.88 1.69 1.2135 10 10 2 79.59 2.89 1.2045 14 6 0 80.20 3.77 1.1968 15 1 1 80.64 2.56 1.1914 4 14 2 80.69 5.62 1.1909 4 10 4 81.31 4.50 1.1833 10 4 4 81.98 2.36 1.1753 14 4 2 82.60 1.42 1.1680 11 11 1 83.44 1.22 1.1584 3 7 5 83.89 1.55 1.1534 9 13 1 84.54 1.18 1.1462 13 9 1 85.08 2.94 1.1403 5 13 3 86.14 3.19 1.1289 13 5 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.