Natrolite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060561 Baur W H, Kassner D, Kim C, Sieber N H W European Journal of Mineralogy 2 (1990) 761-769 Flexibility and distortion of the framework of natrolite: crystal structures of ion-exchanged natrolites Sample: natrolite, NA CELL PARAMETERS: 18.2914 18.6450 6.5845 90.000 90.000 90.000 SPACE GROUP: Fdd2 ATOM X Y Z OCCUPANCY ISO(B) Na 0.22070 0.53070 0.11800 1.000 1.611 Al 0.21240 0.34380 0.86570 1.000 0.669 Si 0.00000 0.00000 0.00000 1.000 0.869 Si 0.15350 0.21130 0.62340 1.000 0.719 O 0.02260 0.06820 0.86560 1.000 1.248 O 0.17940 0.43130 0.86130 1.000 0.929 O 0.15200 0.28520 0.75170 1.000 1.245 O 0.29290 0.34720 0.72560 1.000 1.298 O 0.93070 0.02260 0.13930 1.000 1.234 O 0.19340 0.43950 0.36200 1.000 0.713 H 0.05100 0.13800 0.03300 1.000 3.343 H 0.09400 0.19600 0.16000 1.000 2.448 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: 5.801878569 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.56 68.96 6.5286 2 2 0 15.07 100.00 5.8793 1 1 1 19.04 25.11 4.6613 0 4 0 19.41 17.67 4.5729 4 0 0 20.24 41.09 4.3877 1 3 1 20.41 49.52 4.3502 3 1 1 21.40 27.00 4.1530 2 4 0 21.65 18.56 4.1055 4 2 0 24.52 1.54 3.6309 3 3 1 27.32 3.74 3.2643 4 4 0 27.93 38.27 3.1949 1 5 1 28.32 45.17 3.1518 5 1 1 28.76 14.62 3.1044 0 2 2 28.82 17.21 3.0977 2 0 2 30.38 2.52 2.9423 2 6 0 30.41 38.88 2.9396 2 2 2 30.86 3.79 2.8976 6 2 0 31.23 67.07 2.8644 3 5 1 31.46 63.11 2.8435 5 3 1 34.77 9.90 2.5799 2 4 2 34.93 14.04 2.5684 4 2 2 35.17 1.46 2.5514 6 4 0 36.73 17.73 2.4470 1 7 1 37.34 17.05 2.4084 7 1 1 38.63 3.66 2.3306 0 8 0 38.85 7.63 2.3180 4 4 2 39.37 1.34 2.2886 3 7 1 39.41 2.84 2.2864 8 0 0 39.85 1.02 2.2622 7 3 1 39.89 5.84 2.2598 0 6 2 39.92 1.24 2.2584 2 8 0 40.32 4.00 2.2369 6 0 2 40.63 1.91 2.2206 8 2 0 41.15 13.74 2.1938 2 6 2 41.49 5.41 2.1762 6 6 0 41.52 11.62 2.1751 6 2 2 44.03 2.28 2.0564 1 3 3 44.12 1.74 2.0528 8 4 0 44.12 2.01 2.0526 3 1 3 46.21 1.81 1.9647 1 9 1 46.33 3.50 1.9598 3 3 3 47.05 1.46 1.9315 9 1 1 48.38 5.42 1.8815 1 5 3 48.62 6.71 1.8726 5 1 3 49.51 1.88 1.8410 8 2 2 49.92 7.13 1.8269 2 10 0 50.52 8.94 1.8066 3 5 3 50.68 10.00 1.8013 5 3 3 50.87 6.70 1.7949 10 2 0 50.88 5.35 1.7947 7 7 1 52.07 5.74 1.7563 4 8 2 52.54 4.51 1.7419 8 4 2 52.64 2.51 1.7387 5 9 1 53.04 9.13 1.7265 4 10 0 53.18 2.61 1.7224 9 5 1 53.84 9.02 1.7027 10 4 0 54.40 1.09 1.6866 1 7 3 54.62 3.96 1.6802 5 5 3 55.85 7.10 1.6461 0 0 4 56.27 4.51 1.6349 1 11 1 56.37 1.04 1.6321 8 8 0 56.38 2.48 1.6320 3 7 3 56.74 6.57 1.6224 0 10 2 56.74 3.69 1.6224 7 3 3 57.07 1.92 1.6138 6 8 2 57.32 2.11 1.6073 8 6 2 57.36 4.17 1.6062 11 1 1 57.65 5.72 1.5989 10 0 2 57.76 1.25 1.5962 2 2 4 57.98 1.39 1.5906 6 10 0 58.20 1.13 1.5850 3 11 1 58.56 1.77 1.5763 10 6 0 58.56 2.12 1.5762 7 9 1 58.85 2.47 1.5692 9 7 1 59.21 1.60 1.5606 11 3 1 60.20 2.04 1.5371 5 7 3 60.42 1.18 1.5322 7 5 3 60.50 3.01 1.5303 2 4 4 60.56 2.00 1.5290 4 10 2 60.61 3.34 1.5279 4 2 4 61.29 2.79 1.5124 10 4 2 61.79 1.48 1.5015 1 9 3 62.48 1.96 1.4865 9 1 3 63.21 2.92 1.4711 4 12 0 63.62 2.68 1.4626 3 9 3 63.63 11.28 1.4623 8 8 2 64.23 1.16 1.4501 9 3 3 64.30 2.64 1.4488 12 4 0 64.91 1.66 1.4366 2 6 4 65.18 1.48 1.4313 6 2 4 65.93 4.97 1.4168 9 9 1 67.43 2.75 1.3888 2 12 2 67.58 2.92 1.3862 4 6 4 67.74 3.55 1.3832 6 4 4 68.59 1.57 1.3682 12 2 2 69.97 2.39 1.3446 0 8 4 70.05 1.44 1.3431 4 12 2 70.37 1.15 1.3379 1 11 3 70.49 1.32 1.3359 8 0 4 70.83 4.24 1.3303 2 8 4 71.09 1.46 1.3261 12 4 2 71.32 3.80 1.3224 8 2 4 71.34 1.41 1.3221 11 1 3 71.56 1.16 1.3185 10 8 2 71.92 3.31 1.3128 6 6 4 72.19 2.60 1.3086 5 13 1 72.37 2.16 1.3057 10 10 0 72.41 3.51 1.3052 7 9 3 72.67 2.93 1.3012 9 7 3 72.99 1.03 1.2963 11 3 3 73.34 2.68 1.2909 13 5 1 74.33 1.18 1.2761 6 12 2 75.19 1.35 1.2637 12 6 2 76.96 1.08 1.2389 1 5 5 77.15 1.06 1.2363 5 1 5 78.35 3.43 1.2204 6 14 0 78.48 3.61 1.2187 1 15 1 78.63 2.42 1.2168 3 5 5 78.75 2.18 1.2151 5 3 5 78.86 1.56 1.2137 10 10 2 79.60 2.71 1.2044 14 6 0 80.22 3.41 1.1966 15 1 1 80.60 2.35 1.1919 4 14 2 80.64 5.11 1.1914 4 10 4 81.29 4.23 1.1835 10 4 4 81.99 2.18 1.1752 14 4 2 82.59 1.43 1.1682 11 11 1 83.39 1.05 1.1590 3 7 5 83.86 1.33 1.1537 9 13 1 84.54 1.02 1.1462 13 9 1 85.03 2.76 1.1408 5 13 3 86.14 2.92 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.