Mesolite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040140 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: 18.4130 56.6310 6.5510 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: 5.056818005 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.24 2.11 14.1578 0 4 0 13.44 67.41 6.5905 2 6 0 14.44 13.26 6.1357 1 1 1 15.10 100.00 5.8664 1 3 1 16.36 14.40 5.4196 1 5 1 18.08 2.79 4.9070 1 7 1 18.80 39.12 4.7193 0 12 0 19.28 26.08 4.6033 4 0 0 19.88 8.35 4.4650 3 1 1 20.15 43.33 4.4062 1 9 1 20.38 49.40 4.3580 3 3 1 21.16 20.28 4.1996 2 12 0 21.33 3.72 4.1651 3 5 1 21.48 11.31 4.1374 4 6 0 22.49 4.78 3.9535 1 11 1 22.69 7.06 3.9185 3 7 1 23.05 2.30 3.8591 4 8 0 24.03 1.14 3.7034 2 14 0 24.39 1.23 3.6490 3 9 1 26.38 5.09 3.3791 3 11 1 26.99 1.41 3.3037 2 16 0 27.06 1.97 3.2952 4 12 0 27.41 1.48 3.2538 0 2 2 27.70 27.59 3.2206 1 15 1 27.84 1.21 3.2050 5 1 1 28.20 37.51 3.1647 5 3 1 28.58 1.43 3.1228 3 13 1 28.85 14.01 3.0945 0 6 2 28.93 13.69 3.0860 2 0 2 29.11 1.70 3.0678 2 2 2 29.63 2.05 3.0152 2 4 2 29.79 1.33 2.9992 6 4 0 29.95 5.22 2.9838 5 7 1 30.02 4.24 2.9771 2 18 0 30.48 49.57 2.9332 2 6 2 30.49 2.59 2.9315 1 17 1 30.63 5.75 2.9184 6 6 0 30.98 97.29 2.8867 3 15 1 31.28 77.61 2.8595 5 9 1 31.55 1.35 2.8354 0 10 2 31.63 2.01 2.8289 2 8 2 31.78 1.24 2.8156 6 8 0 32.88 2.81 2.7240 5 11 1 33.53 1.21 2.6730 3 17 1 34.53 1.10 2.5975 4 18 0 34.71 1.36 2.5843 5 13 1 34.73 5.94 2.5828 2 12 2 34.87 2.00 2.5727 6 12 0 34.94 8.04 2.5681 4 6 2 36.36 13.56 2.4711 1 21 1 36.76 1.28 2.4449 6 14 0 37.14 15.29 2.4208 7 3 1 38.14 2.17 2.3596 0 24 0 38.52 1.02 2.3369 7 7 1 38.76 1.71 2.3231 4 12 2 38.96 2.21 2.3115 5 17 1 38.99 2.37 2.3103 3 21 1 39.14 1.39 2.3016 8 0 0 39.42 1.84 2.2857 2 24 0 39.60 1.42 2.2758 7 9 1 39.72 7.17 2.2690 0 18 2 40.27 4.03 2.2395 6 0 2 40.33 2.65 2.2361 8 6 0 40.40 1.46 2.2325 6 2 2 40.49 1.31 2.2277 4 14 2 40.97 14.80 2.2031 2 18 2 41.09 9.58 2.1968 6 18 0 41.44 10.63 2.1790 6 6 2 41.68 1.06 2.1669 1 1 3 41.87 1.14 2.1577 3 23 1 42.44 1.06 2.1298 1 5 3 42.45 1.71 2.1295 7 13 1 42.66 1.18 2.1196 2 26 0 43.19 1.94 2.0945 1 7 3 43.49 1.50 2.0810 6 20 0 43.76 1.98 2.0687 8 12 0 44.04 1.06 2.0560 3 1 3 44.18 2.35 2.0501 1 9 3 44.29 2.73 2.0452 3 3 3 44.77 1.85 2.0242 3 5 3 45.33 1.42 2.0005 8 14 0 45.38 1.21 1.9984 1 11 3 45.49 1.19 1.9939 3 7 3 45.68 2.64 1.9859 1 27 1 46.34 1.30 1.9593 6 14 2 46.44 5.93 1.9555 3 9 3 46.77 2.07 1.9425 9 3 1 46.77 1.20 1.9421 4 20 2 47.60 1.71 1.9104 3 11 3 47.89 1.85 1.8995 3 27 1 48.41 2.13 1.8804 1 15 3 48.72 4.52 1.8691 5 3 3 48.78 1.52 1.8667 8 4 2 48.83 1.67 1.8651 9 9 1 49.17 1.08 1.8530 5 5 3 49.28 5.44 1.8492 2 30 0 49.35 2.45 1.8468 8 6 2 49.84 2.40 1.8296 5 7 3 50.12 1.08 1.8199 8 8 2 50.43 7.27 1.8097 7 21 1 50.50 5.64 1.8072 10 6 0 50.52 8.85 1.8065 3 15 3 50.72 9.41 1.7998 5 9 3 51.65 1.05 1.7697 0 32 0 51.71 4.22 1.7678 4 24 2 52.09 1.96 1.7559 5 27 1 52.30 3.38 1.7491 8 12 2 52.39 6.74 1.7465 4 30 0 52.78 2.47 1.7346 9 15 1 53.41 5.31 1.7154 10 12 0 53.69 1.14 1.7072 8 14 2 54.28 1.13 1.6899 1 21 3 54.37 1.54 1.6875 4 26 2 54.57 5.49 1.6817 5 15 3 55.59 5.59 1.6534 1 33 1 56.16 6.45 1.6378 0 0 4 56.24 1.74 1.6357 3 21 3 56.24 8.58 1.6355 0 30 2 56.71 2.44 1.6233 7 9 3 56.99 5.87 1.6158 11 3 1 56.99 1.72 1.6158 8 18 2 57.30 1.34 1.6079 6 30 0 57.41 5.62 1.6051 10 0 2 57.51 1.69 1.6025 10 2 2 57.97 2.52 1.5908 7 27 1 58.04 2.09 1.5891 10 18 0 58.34 3.52 1.5817 9 21 1 58.80 1.24 1.5705 11 9 1 60.02 2.81 1.5413 5 21 3 60.03 1.95 1.5411 4 30 2 60.29 2.25 1.5350 7 15 3 60.70 1.64 1.5258 2 12 4 60.83 1.55 1.5228 4 6 4 60.97 2.81 1.5196 10 12 2 62.38 3.30 1.4886 4 36 0 63.17 13.51 1.4719 8 24 2 63.32 3.68 1.4687 3 27 3 63.78 2.51 1.4592 12 12 0 64.10 1.76 1.4527 9 9 3 64.99 3.72 1.4350 2 18 4 65.28 2.75 1.4293 9 27 1 65.34 2.51 1.4282 6 6 4 66.74 2.20 1.4015 2 36 2 66.87 1.21 1.3992 5 27 3 67.46 1.34 1.3884 9 15 3 67.49 1.23 1.3878 7 23 3 67.62 3.11 1.3854 4 18 4 67.84 3.96 1.3816 6 12 4 67.85 1.96 1.3813 3 39 1 68.22 1.75 1.3747 12 6 2 69.53 1.90 1.3521 13 9 1 69.90 1.44 1.3457 1 33 3 69.92 1.92 1.3454 0 24 4 70.58 1.12 1.3344 8 0 4 70.77 3.72 1.3313 2 24 4 71.03 1.37 1.3271 10 24 2 71.14 1.74 1.3252 11 3 3 71.28 3.63 1.3230 5 39 1 71.39 2.97 1.3213 8 6 4 71.59 1.97 1.3181 10 30 0 71.91 2.63 1.3130 6 18 4 72.02 4.66 1.3113 7 27 3 72.34 4.20 1.3062 9 21 3 72.50 1.35 1.3038 1 3 5 72.76 3.33 1.2998 13 15 1 73.58 2.65 1.2872 6 36 2 74.68 2.02 1.2711 12 18 2 77.29 2.72 1.2345 6 42 0 77.39 4.40 1.2331 1 45 1 78.17 1.39 1.2228 10 30 2 78.89 2.39 1.2135 14 18 0 78.89 1.98 1.2134 3 15 5 79.03 1.11 1.2116 3 45 1 79.05 1.81 1.2113 5 9 5 79.62 3.51 1.2041 15 3 1 79.67 1.01 1.2035 4 42 2 80.38 3.50 1.1947 4 30 4 81.17 1.05 1.1849 15 9 1 81.21 2.66 1.1846 10 12 4 81.45 1.12 1.1816 14 12 2 81.69 2.01 1.1787 11 33 1 83.73 1.17 1.1551 6 42 2 84.30 3.40 1.1488 5 39 3 85.71 3.06 1.1335 13 15 3 89.67 1.21 1.0934 3 27 5 89.73 1.07 1.0929 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.