Natrolite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R120124 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 _database_code_amcsd 0006392 CELL PARAMETERS: 18.3030 18.6540 6.5850 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: 5.790472523 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.56 69.02 6.5323 2 2 0 15.07 100.00 5.8803 1 1 1 19.03 25.13 4.6635 0 4 0 19.40 17.69 4.5757 4 0 0 20.23 41.10 4.3891 1 3 1 20.41 49.55 4.3519 3 1 1 21.38 27.03 4.1551 2 4 0 21.63 18.59 4.1080 4 2 0 24.51 1.54 3.6324 3 3 1 27.31 3.75 3.2661 4 4 0 27.92 38.30 3.1962 1 5 1 28.30 45.23 3.1534 5 1 1 28.75 14.62 3.1047 0 2 2 28.82 17.21 3.0981 2 0 2 30.36 2.52 2.9438 2 6 0 30.40 38.88 2.9401 2 2 2 30.84 3.80 2.8994 6 2 0 31.21 67.14 2.8657 3 5 1 31.44 63.18 2.8449 5 3 1 34.76 9.91 2.5806 2 4 2 34.92 14.05 2.5692 4 2 2 35.15 1.46 2.5529 6 4 0 36.71 17.75 2.4481 1 7 1 37.32 17.07 2.4098 7 1 1 38.61 3.66 2.3317 0 8 0 38.84 7.64 2.3188 4 4 2 39.35 1.35 2.2897 3 7 1 39.38 2.84 2.2879 8 0 0 39.83 1.02 2.2634 7 3 1 39.88 5.85 2.2605 0 6 2 39.90 1.25 2.2596 2 8 0 40.30 4.00 2.2377 6 0 2 40.60 1.91 2.2220 8 2 0 41.13 13.75 2.1945 2 6 2 41.47 5.42 2.1774 6 6 0 41.50 11.63 2.1759 6 2 2 44.03 2.29 2.0567 1 3 3 44.09 1.74 2.0540 8 4 0 44.11 2.01 2.0528 3 1 3 46.18 1.82 1.9656 1 9 1 46.32 3.50 1.9601 3 3 3 47.02 1.46 1.9327 9 1 1 48.37 5.43 1.8818 1 5 3 48.61 6.71 1.8730 5 1 3 49.49 1.88 1.8418 8 2 2 49.89 7.14 1.8278 2 10 0 50.51 8.94 1.8070 3 5 3 50.67 10.01 1.8017 5 3 3 50.84 6.71 1.7960 10 2 0 50.85 5.36 1.7956 7 7 1 52.05 5.75 1.7570 4 8 2 52.51 4.52 1.7427 8 4 2 52.61 2.52 1.7395 5 9 1 53.01 9.15 1.7274 4 10 0 53.15 2.62 1.7234 9 5 1 53.81 9.04 1.7038 10 4 0 54.38 1.10 1.6870 1 7 3 54.61 3.97 1.6807 5 5 3 55.85 7.10 1.6463 0 0 4 56.24 4.52 1.6357 1 11 1 56.34 1.05 1.6331 8 8 0 56.36 2.48 1.6325 3 7 3 56.72 6.58 1.6230 0 10 2 56.72 3.70 1.6229 7 3 3 57.04 1.92 1.6145 6 8 2 57.30 2.12 1.6080 8 6 2 57.33 4.18 1.6072 11 1 1 57.62 5.73 1.5997 10 0 2 57.75 1.25 1.5963 2 2 4 57.95 1.39 1.5914 6 10 0 58.17 1.13 1.5858 3 11 1 58.52 1.77 1.5773 10 6 0 58.53 2.12 1.5770 7 9 1 58.81 2.48 1.5701 9 7 1 59.17 1.60 1.5615 11 3 1 60.18 2.04 1.5376 5 7 3 60.39 1.18 1.5327 7 5 3 60.49 3.01 1.5305 2 4 4 60.53 2.01 1.5296 4 10 2 60.60 3.34 1.5281 4 2 4 61.26 2.79 1.5132 10 4 2 61.77 1.48 1.5019 1 9 3 62.45 1.96 1.4871 9 1 3 63.17 2.92 1.4719 4 12 0 63.60 2.68 1.4630 3 9 3 63.60 11.29 1.4630 8 8 2 64.21 1.16 1.4506 9 3 3 64.25 2.65 1.4497 12 4 0 64.90 1.66 1.4368 2 6 4 65.16 1.48 1.4316 6 2 4 65.89 4.98 1.4176 9 9 1 67.40 2.75 1.3894 2 12 2 67.56 2.92 1.3865 4 6 4 67.73 3.55 1.3835 6 4 4 68.55 1.58 1.3690 12 2 2 69.95 2.39 1.3448 0 8 4 70.02 1.45 1.3437 4 12 2 70.34 1.15 1.3384 1 11 3 70.47 1.32 1.3363 8 0 4 70.82 4.24 1.3306 2 8 4 71.05 1.46 1.3268 12 4 2 71.30 3.80 1.3228 8 2 4 71.30 1.41 1.3227 11 1 3 71.52 1.16 1.3191 10 8 2 71.90 3.32 1.3132 6 6 4 72.15 2.60 1.3093 5 13 1 72.33 2.16 1.3065 10 10 0 72.38 3.51 1.3057 7 9 3 72.63 2.94 1.3017 9 7 3 72.95 1.03 1.2968 11 3 3 73.29 2.69 1.2917 13 5 1 74.29 1.18 1.2767 6 12 2 75.14 1.36 1.2644 12 6 2 76.95 1.08 1.2390 1 5 5 77.14 1.06 1.2365 5 1 5 78.30 3.44 1.2210 6 14 0 78.44 3.61 1.2193 1 15 1 78.62 2.42 1.2169 3 5 5 78.74 2.19 1.2153 5 3 5 78.82 1.56 1.2143 10 10 2 79.54 2.71 1.2051 14 6 0 80.16 3.42 1.1973 15 1 1 80.56 2.35 1.1924 4 14 2 80.62 5.11 1.1917 4 10 4 81.26 4.23 1.1839 10 4 4 81.94 2.18 1.1758 14 4 2 82.53 1.43 1.1688 11 11 1 83.37 1.05 1.1592 3 7 5 83.81 1.34 1.1543 9 13 1 84.48 1.03 1.1468 13 9 1 84.99 2.77 1.1412 5 13 3 86.09 2.92 1.1295 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.