Natrolite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040102 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: 18.3084 18.6218 6.5900 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: 5.804721966 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.56 68.83 6.5277 2 2 0 15.06 100.00 5.8830 1 1 1 19.06 24.99 4.6554 0 4 0 19.39 17.69 4.5771 4 0 0 20.24 41.00 4.3868 1 3 1 20.40 49.55 4.3536 3 1 1 21.41 26.90 4.1497 2 4 0 21.63 18.56 4.1076 4 2 0 24.51 1.54 3.6314 3 3 1 27.32 3.74 3.2638 4 4 0 27.95 38.13 3.1927 1 5 1 28.29 45.22 3.1545 5 1 1 28.74 14.63 3.1062 0 2 2 28.80 17.22 3.1003 2 0 2 30.39 38.90 2.9415 2 2 2 30.41 2.51 2.9393 2 6 0 30.84 3.80 2.8997 6 2 0 31.24 66.89 2.8633 3 5 1 31.45 63.10 2.8448 5 3 1 34.77 9.90 2.5804 2 4 2 34.91 14.05 2.5702 4 2 2 35.16 1.46 2.5521 6 4 0 36.76 17.66 2.4448 1 7 1 37.30 17.07 2.4106 7 1 1 38.68 3.64 2.3277 0 8 0 38.84 7.63 2.3188 4 4 2 39.37 2.84 2.2885 8 0 0 39.40 1.34 2.2871 3 7 1 39.82 1.02 2.2636 7 3 1 39.90 5.83 2.2592 0 6 2 39.96 1.24 2.2559 2 8 0 40.28 4.01 2.2388 6 0 2 40.59 1.91 2.2224 8 2 0 41.15 13.71 2.1934 2 6 2 41.48 11.63 2.1768 6 2 2 41.50 5.40 2.1759 6 6 0 44.01 2.29 2.0577 1 3 3 44.08 2.02 2.0542 3 1 3 44.09 1.74 2.0538 8 4 0 46.26 1.80 1.9627 1 9 1 46.30 3.50 1.9610 3 3 3 47.00 1.46 1.9333 9 1 1 48.36 5.42 1.8821 1 5 3 48.58 6.72 1.8741 5 1 3 49.47 1.88 1.8425 8 2 2 49.98 7.09 1.8248 2 10 0 50.50 8.94 1.8072 3 5 3 50.64 10.02 1.8025 5 3 3 50.83 6.71 1.7964 10 2 0 50.88 5.34 1.7946 7 7 1 52.09 5.72 1.7557 4 8 2 52.50 4.51 1.7429 8 4 2 52.68 2.50 1.7376 5 9 1 53.09 9.08 1.7249 4 10 0 53.15 2.62 1.7232 9 5 1 53.80 9.03 1.7038 10 4 0 54.40 1.09 1.6866 1 7 3 54.60 3.96 1.6809 5 5 3 55.80 7.12 1.6475 0 0 4 56.34 4.49 1.6331 1 11 1 56.37 2.48 1.6321 3 7 3 56.38 1.04 1.6319 8 8 0 56.70 3.70 1.6235 7 3 3 56.79 6.54 1.6212 0 10 2 57.08 1.91 1.6136 6 8 2 57.30 2.11 1.6078 8 6 2 57.31 4.18 1.6077 11 1 1 57.59 5.73 1.6004 10 0 2 57.71 1.25 1.5974 2 2 4 58.02 1.38 1.5896 6 10 0 58.27 1.13 1.5835 3 11 1 58.53 1.77 1.5769 10 6 0 58.59 2.11 1.5756 7 9 1 58.84 2.47 1.5695 9 7 1 59.16 1.60 1.5618 11 3 1 60.19 2.04 1.5373 5 7 3 60.38 1.18 1.5330 7 5 3 60.46 3.01 1.5312 2 4 4 60.55 3.35 1.5291 4 2 4 60.59 2.00 1.5282 4 10 2 61.24 2.79 1.5135 10 4 2 61.80 1.48 1.5011 1 9 3 62.42 1.96 1.4878 9 1 3 63.28 2.90 1.4696 4 12 0 63.63 11.26 1.4624 8 8 2 63.63 2.68 1.4623 3 9 3 64.18 1.16 1.4512 9 3 3 64.25 2.64 1.4498 12 4 0 64.88 1.66 1.4371 2 6 4 65.12 1.48 1.4324 6 2 4 65.94 4.96 1.4167 9 9 1 67.50 2.74 1.3877 2 12 2 67.55 2.92 1.3868 4 6 4 67.69 3.55 1.3841 6 4 4 68.52 1.58 1.3694 12 2 2 69.96 2.39 1.3448 0 8 4 70.11 1.44 1.3422 4 12 2 70.40 1.14 1.3373 1 11 3 70.42 1.32 1.3371 8 0 4 70.82 4.23 1.3305 2 8 4 71.03 1.46 1.3270 12 4 2 71.25 3.81 1.3235 8 2 4 71.27 1.41 1.3233 11 1 3 71.55 1.16 1.3188 10 8 2 71.88 3.32 1.3135 6 6 4 72.26 2.58 1.3075 5 13 1 72.38 2.15 1.3055 10 10 0 72.41 3.51 1.3052 7 9 3 72.63 2.93 1.3017 9 7 3 72.92 1.03 1.2973 11 3 3 73.28 2.69 1.2917 13 5 1 74.38 1.18 1.2754 6 12 2 75.14 1.35 1.2644 12 6 2 76.91 1.09 1.2396 1 5 5 77.08 1.06 1.2374 5 1 5 78.43 3.42 1.2193 6 14 0 78.57 2.42 1.2175 3 5 5 78.59 3.58 1.2173 1 15 1 78.68 2.19 1.2161 5 3 5 78.86 1.56 1.2137 10 10 2 79.54 2.71 1.2051 14 6 0 80.13 3.42 1.1977 15 1 1 80.64 5.10 1.1914 4 10 4 80.68 2.34 1.1909 4 14 2 81.22 4.24 1.1844 10 4 4 81.91 2.18 1.1761 14 4 2 82.60 1.43 1.1681 11 11 1 83.35 1.05 1.1595 3 7 5 83.91 1.33 1.1531 9 13 1 84.51 1.02 1.1465 13 9 1 85.08 2.76 1.1402 5 13 3 86.06 2.92 1.1297 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.