Mesolite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040139 Stuckenschmidt E, Kirfel A European Journal of Mineralogy 12 (2000) 571-579 Zeolites of NAT topology: Structure refinement of mesolite from single crystal X-ray data and comparison with the structures of natrolite and scolecite CELL PARAMETERS: 18.4080 56.6050 6.5440 90.000 90.000 90.000 SPACE GROUP: Fdd2 ATOM X Y Z OCCUPANCY ISO(B) Na 0.96747 0.76095 0.63160 1.000 1.516 Ca 0.22803 0.82739 0.88150 1.000 0.916 Al 0.78692 0.78024 0.61310 1.000 0.505 Al 0.95151 0.86235 0.89300 1.000 0.521 Al 0.03627 0.80211 0.89300 1.000 0.521 Si 0.75000 0.75000 0.00000 1.000 0.553 Si 0.00431 0.83181 0.27750 1.000 0.537 Si 0.15500 0.76431 0.87220 1.000 0.490 Si 0.08791 0.84687 0.65220 1.000 0.521 Si 0.90185 0.81979 0.65060 1.000 0.505 O 0.02290 0.80807 0.15230 1.000 0.947 O 0.98495 0.85318 0.12830 1.000 1.161 O 0.76808 0.77289 0.86490 1.000 1.019 O 0.82359 0.80834 0.59650 1.000 0.695 O 0.16645 0.85931 0.67110 1.000 0.790 O 0.07259 0.77381 0.86360 1.000 0.711 O 0.09621 0.82336 0.79470 1.000 0.908 O 0.88932 0.84186 0.80160 1.000 0.963 O 0.84344 0.75870 0.51530 1.000 0.971 O 0.20948 0.78462 0.95930 1.000 0.869 O 0.02187 0.86354 0.71790 1.000 0.995 O 0.95582 0.80064 0.75300 1.000 1.011 O 0.93731 0.82794 0.43390 1.000 1.058 O 0.07621 0.83890 0.41320 1.000 0.947 O 0.18021 0.75698 0.64160 1.000 1.034 O 0.78150 0.81608 0.07600 1.000 2.795 O 0.20078 0.84820 0.18350 1.000 2.448 O 0.05341 0.76845 0.37710 1.000 1.666 O 0.81792 0.85685 0.36480 1.000 2.061 H 0.77300 0.80440 0.00900 1.000 3.158 H 0.82300 0.81990 0.03800 1.000 14.212 H 0.16000 0.84350 0.23400 1.000 11.054 H 0.21700 0.85680 0.26900 1.000 4.737 H 0.04600 0.78210 0.31600 1.000 3.948 H 0.09500 0.76970 0.43000 1.000 3.948 H 0.86200 0.85400 0.31500 1.000 11.054 H 0.80500 0.87130 0.33000 1.000 12.633 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 16 +/- 51 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 5.063873593 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.25 2.11 14.1512 0 4 0 13.44 67.50 6.5881 2 6 0 14.45 13.26 6.1297 1 1 1 15.12 100.00 5.8610 1 3 1 16.37 14.40 5.4149 1 5 1 18.09 2.79 4.9032 1 7 1 18.81 39.16 4.7171 0 12 0 19.29 26.12 4.6020 4 0 0 19.90 8.35 4.4622 3 1 1 20.17 43.34 4.4030 1 9 1 20.39 49.43 4.3552 3 3 1 21.16 20.30 4.1979 2 12 0 21.35 3.72 4.1626 3 5 1 21.48 11.33 4.1361 4 6 0 22.50 4.78 3.9508 1 11 1 22.71 7.06 3.9162 3 7 1 23.05 2.31 3.8578 4 8 0 24.04 1.14 3.7018 2 14 0 24.41 1.23 3.6468 3 9 1 26.39 5.10 3.3772 3 11 1 27.00 1.41 3.3023 2 16 0 27.07 1.97 3.2940 4 12 0 27.44 1.48 3.2504 0 2 2 27.72 27.60 3.2187 1 15 1 27.85 1.21 3.2035 5 1 1 28.21 37.54 3.1633 5 3 1 28.60 1.43 3.1211 3 13 1 28.88 14.00 3.0914 0 6 2 28.96 13.68 3.0830 2 0 2 29.14 1.69 3.0649 2 2 2 29.66 2.04 3.0123 2 4 2 29.80 1.33 2.9983 6 4 0 29.96 5.23 2.9825 5 7 1 30.03 4.24 2.9758 2 18 0 30.50 49.53 2.9305 2 6 2 30.51 2.59 2.9298 1 17 1 30.64 5.75 2.9176 6 6 0 31.00 97.34 2.8851 3 15 1 31.30 77.67 2.8582 5 9 1 31.58 1.34 2.8328 0 10 2 31.66 2.00 2.8263 2 8 2 31.79 1.24 2.8148 6 8 0 32.90 2.81 2.7227 5 11 1 33.54 1.21 2.6716 3 17 1 34.54 1.10 2.5964 4 18 0 34.73 1.37 2.5831 5 13 1 34.76 5.94 2.5807 2 12 2 34.89 2.00 2.5719 6 12 0 34.97 8.04 2.5661 4 6 2 36.38 13.57 2.4698 1 21 1 36.77 1.28 2.4440 6 14 0 37.15 15.30 2.4199 7 3 1 38.16 2.17 2.3585 0 24 0 38.54 1.02 2.3360 7 7 1 38.79 1.71 2.3214 4 12 2 38.98 2.21 2.3105 5 17 1 39.01 2.37 2.3091 3 21 1 39.15 1.39 2.3010 8 0 0 39.44 1.84 2.2847 2 24 0 39.62 1.42 2.2749 7 9 1 39.76 7.17 2.2673 0 18 2 40.30 4.02 2.2380 6 0 2 40.35 2.65 2.2355 8 6 0 40.43 1.46 2.2311 6 2 2 40.52 1.31 2.2261 4 14 2 41.00 14.80 2.2015 2 18 2 41.10 9.59 2.1960 6 18 0 41.47 10.63 2.1776 6 6 2 41.73 1.06 2.1646 1 1 3 41.89 1.14 2.1566 3 23 1 42.47 1.71 2.1286 7 13 1 42.49 1.06 2.1276 1 5 3 42.68 1.18 2.1187 2 26 0 43.24 1.94 2.0924 1 7 3 43.50 1.50 2.0803 6 20 0 43.77 1.98 2.0681 8 12 0 44.09 1.06 2.0540 3 1 3 44.22 2.34 2.0481 1 9 3 44.33 2.72 2.0432 3 3 3 44.82 1.85 2.0223 3 5 3 45.35 1.42 1.9998 8 14 0 45.43 1.21 1.9965 1 11 3 45.54 1.19 1.9920 3 7 3 45.71 2.64 1.9849 1 27 1 46.37 1.30 1.9581 6 14 2 46.48 5.93 1.9537 3 9 3 46.78 2.07 1.9418 9 3 1 46.81 1.20 1.9409 4 20 2 47.64 1.71 1.9087 3 11 3 47.91 1.85 1.8986 3 27 1 48.45 2.13 1.8787 1 15 3 48.76 4.52 1.8674 5 3 3 48.81 1.52 1.8658 8 4 2 48.85 1.67 1.8645 9 9 1 49.21 1.08 1.8514 5 5 3 49.30 5.44 1.8484 2 30 0 49.37 2.45 1.8458 8 6 2 49.89 2.39 1.8281 5 7 3 50.15 1.08 1.8189 8 8 2 50.45 7.27 1.8090 7 21 1 50.52 5.65 1.8067 10 6 0 50.57 8.84 1.8050 3 15 3 50.77 9.40 1.7983 5 9 3 51.67 1.05 1.7689 0 32 0 51.74 4.22 1.7667 4 24 2 52.11 1.96 1.7551 5 27 1 52.33 3.38 1.7482 8 12 2 52.41 6.74 1.7458 4 30 0 52.80 2.47 1.7339 9 15 1 53.43 5.31 1.7148 10 12 0 53.72 1.14 1.7064 8 14 2 54.33 1.13 1.6885 1 21 3 54.40 1.54 1.6865 4 26 2 54.62 5.48 1.6803 5 15 3 55.62 5.59 1.6525 1 33 1 56.23 6.43 1.6360 0 0 4 56.28 8.58 1.6345 0 30 2 56.29 1.74 1.6344 3 21 3 56.75 2.44 1.6221 7 9 3 57.01 5.88 1.6153 11 3 1 57.02 1.72 1.6150 8 18 2 57.33 1.34 1.6072 6 30 0 57.44 5.62 1.6043 10 0 2 57.54 1.69 1.6018 10 2 2 58.00 2.52 1.5902 7 27 1 58.06 2.10 1.5886 10 18 0 58.36 3.52 1.5811 9 21 1 58.82 1.24 1.5700 11 9 1 60.07 1.95 1.5403 4 30 2 60.07 2.81 1.5401 5 21 3 60.34 2.25 1.5339 7 15 3 60.76 1.64 1.5243 2 12 4 60.89 1.55 1.5213 4 6 4 61.00 2.81 1.5189 10 12 2 62.41 3.30 1.4879 4 36 0 63.21 13.52 1.4712 8 24 2 63.37 3.68 1.4677 3 27 3 63.80 2.51 1.4588 12 12 0 64.15 1.76 1.4517 9 9 3 65.06 3.71 1.4336 2 18 4 65.31 2.75 1.4287 9 27 1 65.40 2.50 1.4270 6 6 4 66.79 2.20 1.4007 2 36 2 66.92 1.21 1.3983 5 27 3 67.51 1.34 1.3875 9 15 3 67.54 1.23 1.3869 7 23 3 67.69 3.10 1.3841 4 18 4 67.89 1.96 1.3806 3 39 1 67.90 3.96 1.3804 6 12 4 68.25 1.76 1.3741 12 6 2 69.55 1.90 1.3516 13 9 1 69.96 1.44 1.3448 1 33 3 69.99 1.91 1.3443 0 24 4 70.65 1.12 1.3333 8 0 4 70.84 3.71 1.3302 2 24 4 71.06 1.37 1.3265 10 24 2 71.19 1.74 1.3245 11 3 3 71.32 3.63 1.3224 5 39 1 71.46 2.97 1.3202 8 6 4 71.62 1.97 1.3176 10 30 0 71.98 2.62 1.3120 6 18 4 72.07 4.66 1.3105 7 27 3 72.39 4.20 1.3054 9 21 3 72.59 1.35 1.3024 1 3 5 72.78 3.34 1.2993 13 15 1 73.63 2.65 1.2866 6 36 2 74.71 2.03 1.2705 12 18 2 77.33 2.73 1.2339 6 42 0 77.44 4.40 1.2325 1 45 1 78.21 1.39 1.2222 10 30 2 78.91 2.39 1.2131 14 18 0 78.99 1.98 1.2122 3 15 5 79.08 1.11 1.2110 3 45 1 79.14 1.81 1.2102 5 9 5 79.65 3.51 1.2037 15 3 1 79.72 1.01 1.2028 4 42 2 80.45 3.50 1.1938 4 30 4 81.20 1.05 1.1846 15 9 1 81.27 2.65 1.1837 10 12 4 81.49 1.12 1.1812 14 12 2 81.73 2.01 1.1783 11 33 1 83.78 1.17 1.1546 6 42 2 84.36 3.40 1.1481 5 39 3 85.76 3.06 1.1329 13 15 3 89.77 1.21 1.0925 3 27 5 89.78 1.07 1.0923 1 51 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.