Natrolite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040112 Alberti A, Cruciani G, Dauru I European Journal of Mineralogy 7 (1995) 501-508 Order-disorder in natrolite-group minerals CELL PARAMETERS: 18.2880 18.6434 6.5840 90.000 90.000 90.000 SPACE GROUP: Fdd2 ATOM X Y Z OCCUPANCY ISO(B) Na 0.22080 0.03010 0.62090 1.000 1.220 Si 0.00000 0.00000 0.00000 0.765 0.610 Al 0.00000 0.00000 0.00000 0.235 0.610 Si 0.15420 0.21130 0.62510 0.815 0.520 Al 0.15420 0.21130 0.62510 0.185 0.520 Al 0.03780 0.09400 0.61790 0.661 0.540 Si 0.03780 0.09400 0.61790 0.339 0.540 O 0.02290 0.06930 0.86400 1.000 1.280 O 0.07040 0.18040 0.61690 1.000 0.790 O 0.09810 0.03620 0.50620 1.000 1.130 O 0.20880 0.15290 0.73060 1.000 1.120 O 0.17970 0.22740 0.39200 1.000 1.370 O 0.05700 0.19100 0.11800 1.000 2.020 H 0.05800 0.15600 0.07800 1.000 1.700 H 0.09500 0.19000 0.19100 1.000 0.700 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: 6.161956146 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.56 61.99 6.5277 2 2 0 15.07 100.00 5.8787 1 1 1 19.04 22.11 4.6609 0 4 0 19.41 17.14 4.5720 4 0 0 20.24 39.36 4.3873 1 3 1 20.42 42.00 4.3497 3 1 1 21.40 24.53 4.1525 2 4 0 21.65 19.02 4.1049 4 2 0 27.32 3.62 3.2639 4 4 0 27.93 38.19 3.1946 1 5 1 28.32 41.38 3.1513 5 1 1 28.76 13.65 3.1041 0 2 2 28.82 14.47 3.0974 2 0 2 30.38 3.07 2.9420 2 6 0 30.41 36.75 2.9394 2 2 2 30.87 3.75 2.8971 6 2 0 31.23 64.75 2.8641 3 5 1 31.47 60.65 2.8431 5 3 1 34.78 10.55 2.5797 2 4 2 34.91 1.04 2.5699 4 6 0 34.94 12.49 2.5681 4 2 2 35.18 1.42 2.5510 6 4 0 36.73 16.99 2.4468 1 7 1 37.34 16.46 2.4080 7 1 1 38.64 3.34 2.3304 0 8 0 38.85 6.59 2.3178 4 4 2 39.37 1.26 2.2884 3 7 1 39.42 2.58 2.2860 8 0 0 39.86 1.03 2.2618 7 3 1 39.90 5.28 2.2596 0 6 2 39.92 1.20 2.2582 2 8 0 40.33 4.05 2.2366 6 0 2 40.64 1.64 2.2202 8 2 0 41.15 12.72 2.1937 2 6 2 41.50 5.46 2.1759 6 6 0 41.52 11.41 2.1748 6 2 2 44.04 2.11 2.0563 1 3 3 44.12 1.53 2.0524 8 4 0 44.13 2.12 2.0524 3 1 3 46.21 1.62 1.9646 1 9 1 46.33 3.28 1.9596 3 3 3 47.06 1.30 1.9312 9 1 1 48.38 5.34 1.8813 1 5 3 48.63 6.25 1.8724 5 1 3 48.91 1.05 1.8622 2 8 2 49.52 1.67 1.8407 8 2 2 49.92 6.71 1.8268 2 10 0 50.53 8.70 1.8064 3 5 3 50.68 9.31 1.8011 5 3 3 50.88 6.32 1.7946 10 2 0 50.89 5.39 1.7945 7 7 1 52.08 5.15 1.7562 4 8 2 52.54 4.49 1.7417 8 4 2 52.65 2.23 1.7385 5 9 1 53.05 8.82 1.7263 4 10 0 53.19 2.23 1.7221 9 5 1 53.85 8.64 1.7024 10 4 0 54.63 3.77 1.6800 5 5 3 55.86 6.66 1.6460 0 0 4 56.27 4.77 1.6348 1 11 1 56.38 2.56 1.6319 3 7 3 56.75 5.89 1.6223 0 10 2 56.75 3.31 1.6222 7 3 3 57.08 1.68 1.6136 6 8 2 57.33 1.93 1.6070 8 6 2 57.38 4.52 1.6060 11 1 1 57.66 5.27 1.5987 10 0 2 57.77 1.20 1.5960 2 2 4 57.99 1.63 1.5904 6 10 0 58.21 1.22 1.5849 3 11 1 58.57 1.88 1.5761 10 6 0 58.57 2.33 1.5760 7 9 1 58.86 2.42 1.5690 9 7 1 59.22 1.53 1.5603 11 3 1 60.21 1.74 1.5369 5 7 3 60.42 1.18 1.5320 7 5 3 60.51 2.74 1.5302 2 4 4 60.56 2.13 1.5289 4 10 2 60.61 3.06 1.5278 4 2 4 61.30 2.52 1.5122 10 4 2 61.79 1.39 1.5013 1 9 3 62.49 1.79 1.4863 9 1 3 63.21 2.93 1.4710 4 12 0 63.63 2.58 1.4624 3 9 3 63.64 11.15 1.4621 8 8 2 64.24 1.47 1.4499 9 3 3 64.31 2.66 1.4485 12 4 0 64.92 1.77 1.4365 2 6 4 65.19 1.60 1.4311 6 2 4 65.94 4.88 1.4166 9 9 1 67.44 2.59 1.3887 2 12 2 67.59 3.24 1.3861 4 6 4 67.75 3.73 1.3831 6 4 4 68.60 1.71 1.3680 12 2 2 69.98 1.97 1.3445 0 8 4 70.06 1.14 1.3430 4 12 2 70.37 1.39 1.3378 1 11 3 70.50 1.32 1.3358 8 0 4 70.84 4.03 1.3302 2 8 4 71.11 1.19 1.3259 12 4 2 71.33 3.85 1.3223 8 2 4 71.35 1.48 1.3219 11 1 3 71.93 3.15 1.3127 6 6 4 72.09 1.04 1.3102 1 1 5 72.19 2.70 1.3085 5 13 1 72.38 1.99 1.3055 10 10 0 72.42 3.58 1.3050 7 9 3 72.68 3.05 1.3010 9 7 3 73.35 2.65 1.2907 13 5 1 74.28 1.06 1.2768 9 11 1 74.34 1.26 1.2760 6 12 2 75.20 1.38 1.2635 12 6 2 76.97 1.13 1.2388 1 5 5 77.16 1.05 1.2362 5 1 5 78.36 3.29 1.2203 6 14 0 78.49 3.55 1.2186 1 15 1 78.64 2.42 1.2167 3 5 5 78.76 2.27 1.2150 5 3 5 78.88 1.50 1.2136 10 10 2 79.61 2.84 1.2042 14 6 0 80.24 3.32 1.1963 15 1 1 80.61 2.27 1.1918 4 14 2 80.65 4.79 1.1913 4 10 4 81.31 4.27 1.1833 10 4 4 82.01 2.10 1.1750 14 4 2 82.60 1.52 1.1680 11 11 1 83.87 1.17 1.1536 9 13 1 85.04 2.86 1.1407 5 13 3 86.15 2.91 1.1288 13 5 3 89.68 1.12 1.0933 3 9 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.