Mesolite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050013 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: 18.4085 56.6510 6.5451 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 +/- 52 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 5.056269872 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.24 2.11 14.1628 0 4 0 13.43 67.53 6.5908 2 6 0 14.45 13.26 6.1307 1 1 1 15.11 100.00 5.8622 1 3 1 16.36 14.41 5.4166 1 5 1 18.08 2.79 4.9051 1 7 1 18.80 39.22 4.7209 0 12 0 19.29 26.11 4.6021 4 0 0 19.90 8.35 4.4626 3 1 1 20.16 43.38 4.4051 1 9 1 20.39 49.42 4.3558 3 3 1 21.15 20.32 4.2006 2 12 0 21.34 3.72 4.1633 3 5 1 21.48 11.32 4.1369 4 6 0 22.49 4.79 3.9529 1 11 1 22.70 7.06 3.9172 3 7 1 23.05 2.31 3.8588 4 8 0 24.02 1.14 3.7043 2 14 0 24.40 1.24 3.6481 3 9 1 26.38 5.10 3.3786 3 11 1 26.98 1.41 3.3046 2 16 0 27.06 1.97 3.2954 4 12 0 27.44 1.48 3.2509 0 2 2 27.70 27.64 3.2207 1 15 1 27.85 1.21 3.2037 5 1 1 28.21 37.53 3.1635 5 3 1 28.59 1.43 3.1225 3 13 1 28.87 14.00 3.0921 0 6 2 28.96 13.68 3.0835 2 0 2 29.13 1.69 3.0653 2 2 2 29.65 2.04 3.0129 2 4 2 29.80 1.33 2.9985 6 4 0 29.96 5.23 2.9829 5 7 1 30.01 4.25 2.9780 2 18 0 30.49 2.59 2.9318 1 17 1 30.50 49.54 2.9311 2 6 2 30.64 5.75 2.9179 6 6 0 30.98 97.45 2.8866 3 15 1 31.29 77.68 2.8588 5 9 1 31.57 1.35 2.8337 0 10 2 31.65 2.01 2.8271 2 8 2 31.79 1.24 2.8152 6 8 0 32.89 2.81 2.7235 5 11 1 33.52 1.22 2.6731 3 17 1 34.52 1.10 2.5979 4 18 0 34.72 1.37 2.5839 5 13 1 34.75 5.94 2.5816 2 12 2 34.88 2.00 2.5725 6 12 0 34.96 8.04 2.5666 4 6 2 36.35 13.59 2.4715 1 21 1 36.76 1.28 2.4448 6 14 0 37.15 15.30 2.4201 7 3 1 38.12 2.18 2.3605 0 24 0 38.53 1.02 2.3363 7 7 1 38.78 1.71 2.3221 4 12 2 38.97 2.21 2.3115 5 17 1 38.98 2.37 2.3105 3 21 1 39.15 1.39 2.3011 8 0 0 39.41 1.84 2.2865 2 24 0 39.61 1.42 2.2752 7 9 1 39.73 7.18 2.2685 0 18 2 40.29 4.02 2.2383 6 0 2 40.34 2.65 2.2356 8 6 0 40.42 1.46 2.2313 6 2 2 40.51 1.31 2.2268 4 14 2 40.98 14.81 2.2025 2 18 2 41.09 9.60 2.1969 6 18 0 41.46 10.63 2.1779 6 6 2 41.72 1.06 2.1650 1 1 3 41.86 1.14 2.1580 3 23 1 42.46 1.71 2.1291 7 13 1 42.48 1.06 2.1280 1 5 3 42.64 1.18 2.1203 2 26 0 43.23 1.94 2.0928 1 7 3 43.48 1.50 2.0812 6 20 0 43.77 1.99 2.0684 8 12 0 44.08 1.06 2.0543 3 1 3 44.21 2.34 2.0486 1 9 3 44.33 2.72 2.0436 3 3 3 44.81 1.85 2.0226 3 5 3 45.34 1.42 2.0003 8 14 0 45.42 1.21 1.9970 1 11 3 45.53 1.19 1.9924 3 7 3 45.67 2.65 1.9864 1 27 1 46.36 1.30 1.9586 6 14 2 46.47 5.93 1.9541 3 9 3 46.78 2.07 1.9419 9 3 1 46.78 1.20 1.9417 4 20 2 47.63 1.71 1.9092 3 11 3 47.88 1.85 1.8999 3 27 1 48.44 2.13 1.8793 1 15 3 48.76 4.52 1.8677 5 3 3 48.81 1.52 1.8659 8 4 2 48.84 1.67 1.8647 9 9 1 49.21 1.08 1.8517 5 5 3 49.26 5.46 1.8498 2 30 0 49.37 2.45 1.8460 8 6 2 49.88 2.39 1.8284 5 7 3 50.15 1.08 1.8192 8 8 2 50.43 7.28 1.8097 7 21 1 50.51 5.65 1.8068 10 6 0 50.55 8.84 1.8055 3 15 3 50.76 9.40 1.7987 5 9 3 51.63 1.05 1.7703 0 32 0 51.72 4.23 1.7676 4 24 2 52.08 1.97 1.7561 5 27 1 52.32 3.38 1.7485 8 12 2 52.37 6.76 1.7470 4 30 0 52.79 2.47 1.7343 9 15 1 53.42 5.31 1.7151 10 12 0 53.71 1.14 1.7067 8 14 2 54.31 1.13 1.6892 1 21 3 54.37 1.54 1.6874 4 26 2 54.60 5.48 1.6808 5 15 3 55.57 5.60 1.6538 1 33 1 56.22 6.43 1.6363 0 0 4 56.24 8.60 1.6356 0 30 2 56.26 1.74 1.6350 3 21 3 56.74 2.44 1.6224 7 9 3 57.01 1.72 1.6154 8 18 2 57.01 5.88 1.6154 11 3 1 57.29 1.34 1.6082 6 30 0 57.44 5.62 1.6044 10 0 2 57.54 1.69 1.6019 10 2 2 57.97 2.53 1.5909 7 27 1 58.05 2.10 1.5890 10 18 0 58.34 3.52 1.5816 9 21 1 58.81 1.24 1.5701 11 9 1 60.03 1.95 1.5412 4 30 2 60.05 2.81 1.5407 5 21 3 60.33 2.25 1.5343 7 15 3 60.75 1.64 1.5247 2 12 4 60.88 1.55 1.5216 4 6 4 60.99 2.81 1.5191 10 12 2 62.36 3.31 1.4890 4 36 0 63.18 13.53 1.4717 8 24 2 63.34 3.69 1.4684 3 27 3 63.80 2.51 1.4589 12 12 0 64.14 1.76 1.4519 9 9 3 65.04 3.72 1.4341 2 18 4 65.28 2.75 1.4293 9 27 1 65.39 2.50 1.4272 6 6 4 66.73 2.20 1.4017 2 36 2 66.88 1.21 1.3989 5 27 3 67.49 1.34 1.3878 9 15 3 67.51 1.23 1.3874 7 23 3 67.67 3.10 1.3845 4 18 4 67.83 1.96 1.3817 3 39 1 67.89 3.96 1.3807 6 12 4 68.25 1.76 1.3742 12 6 2 69.55 1.90 1.3517 13 9 1 69.91 1.44 1.3455 1 33 3 69.96 1.92 1.3448 0 24 4 70.64 1.12 1.3335 8 0 4 70.81 3.72 1.3306 2 24 4 71.04 1.37 1.3269 10 24 2 71.18 1.74 1.3246 11 3 3 71.26 3.64 1.3233 5 39 1 71.44 2.97 1.3204 8 6 4 71.58 1.97 1.3182 10 30 0 71.95 2.63 1.3123 6 18 4 72.04 4.67 1.3110 7 27 3 72.37 4.20 1.3057 9 21 3 72.57 1.35 1.3026 1 3 5 72.77 3.34 1.2995 13 15 1 73.58 2.66 1.2873 6 36 2 74.70 2.03 1.2708 12 18 2 77.27 2.73 1.2348 6 42 0 77.36 4.42 1.2335 1 45 1 78.18 1.39 1.2227 10 30 2 78.90 2.39 1.2133 14 18 0 78.96 1.98 1.2124 3 15 5 79.01 1.11 1.2119 3 45 1 79.13 1.81 1.2104 5 9 5 79.65 3.51 1.2038 15 3 1 79.66 1.01 1.2037 4 42 2 80.41 3.50 1.1943 4 30 4 81.20 1.05 1.1847 15 9 1 81.26 2.65 1.1839 10 12 4 81.48 1.12 1.1813 14 12 2 81.69 2.02 1.1787 11 33 1 83.72 1.18 1.1553 6 42 2 84.30 3.41 1.1487 5 39 3 85.75 3.06 1.1331 13 15 3 89.69 1.08 1.0932 1 51 1 89.73 1.21 1.0928 3 27 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.