Heulandite-Na Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070281 Gunter M E, Armbruster T, Kohler T, Knowles C R American Mineralogist 79 (1994) 675-682 Crystal structure and optical properties of Na- and Pb-exchanged heulandite-group zeolites Sample: Na-exchanged Atomic parameters from ICSD CELL PARAMETERS: 17.2820 17.9090 7.4150 90.000 113.681 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Na 0.17260 0.00000 0.68900 0.800 10.300 Na 0.53920 0.00000 0.24300 0.840 7.300 Na 0.28390 0.00000 0.02900 0.160 16.100 Si 0.17880 0.16980 0.09580 0.753 1.490 Al 0.17880 0.16980 0.09580 0.247 1.490 Si 0.28640 0.08920 0.49490 0.753 1.530 Al 0.28640 0.08920 0.49490 0.247 1.530 Si 0.29050 0.30980 0.28260 0.753 1.520 Al 0.29050 0.30980 0.28260 0.247 1.520 Si 0.06730 0.29780 0.41710 0.753 1.520 Al 0.06730 0.29780 0.41710 0.247 1.520 Si 0.00000 0.21650 0.00000 0.753 1.600 Al 0.00000 0.21650 0.00000 0.247 1.600 O 0.30260 0.00000 0.53700 1.000 2.400 O 0.23410 0.11970 0.61820 1.000 3.230 O 0.18790 0.15560 0.89100 1.000 4.000 O 0.23110 0.10330 0.24980 1.000 2.790 O 0.00000 0.32180 0.50000 1.000 3.800 O 0.08070 0.16090 0.04930 1.000 2.830 O 0.37370 0.26860 0.44920 1.000 3.370 O 0.01450 0.27090 0.18620 1.000 3.400 O 0.21230 0.25210 0.18750 1.000 2.930 O 0.11990 0.37190 0.42120 1.000 2.990 OH 0.28390 0.00000 0.02900 0.680 16.100 OH 0.50000 0.00000 0.50000 1.000 13.600 OH 0.42200 0.08140 0.03500 1.000 13.100 OH 0.07400 0.00000 0.04000 0.560 26.900 OH 0.08200 0.00000 0.27100 1.000 25.400 OH 0.07200 -0.02900 0.75800 0.370 11.840 O 0.00000 0.10000 0.50000 1.000 22.200 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 14 +/- 16 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 5.137834227 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.45 1.44 11.8594 1 1 0 9.88 100.00 8.9545 0 2 0 11.18 36.23 7.9134 2 0 0 12.93 4.32 6.8484 -1 1 1 13.04 12.67 6.7906 0 0 1 13.34 21.41 6.6363 -2 0 1 14.94 3.64 5.9297 2 2 0 15.87 2.31 5.5855 1 3 0 16.38 5.51 5.4107 0 2 1 16.63 3.75 5.3317 -2 2 1 16.89 30.16 5.2508 1 1 1 17.36 17.08 5.1090 -3 1 1 17.52 8.29 5.0606 3 1 0 19.09 16.25 4.6492 -1 3 1 20.96 5.50 4.2385 -4 0 1 21.99 52.19 4.0418 1 3 1 22.47 19.27 3.9567 4 0 0 22.49 33.31 3.9531 3 3 0 22.68 9.38 3.9201 2 2 1 22.82 29.52 3.8968 2 4 0 23.22 18.71 3.8310 -4 2 1 23.98 1.10 3.7115 -2 4 1 24.01 7.84 3.7058 -2 0 2 25.01 3.42 3.5600 -1 1 2 25.34 15.26 3.5148 -3 1 2 25.69 3.01 3.4678 3 1 1 26.02 30.87 3.4242 -2 2 2 26.25 10.17 3.3953 0 0 2 26.32 3.21 3.3857 -5 1 1 26.87 17.51 3.3181 -4 0 2 28.69 21.53 3.1114 -4 2 2 28.77 11.17 3.1031 -1 3 2 29.01 17.16 3.0780 -4 4 1 29.06 1.47 3.0731 -3 3 2 29.37 2.80 3.0415 3 3 1 29.46 13.93 3.0317 1 1 2 29.78 29.36 3.0002 1 5 1 29.94 1.70 2.9848 0 6 0 30.06 10.44 2.9730 -3 5 1 30.16 21.80 2.9633 3 5 0 30.30 1.86 2.9498 -5 1 2 30.37 3.22 2.9430 4 0 1 31.05 3.26 2.8800 -6 0 1 32.00 22.44 2.7965 5 3 0 32.01 2.74 2.7958 4 2 1 32.61 1.01 2.7461 2 0 2 32.66 9.34 2.7417 -6 2 1 32.75 2.71 2.7344 1 3 2 32.77 5.17 2.7325 0 6 1 32.90 7.32 2.7222 -2 6 1 33.11 4.21 2.7054 0 4 2 33.63 1.28 2.6653 -6 0 2 34.15 4.35 2.6254 2 2 2 35.19 4.03 2.5504 -1 5 2 35.48 1.49 2.5303 6 2 0 35.54 1.49 2.5256 1 7 0 35.69 2.50 2.5159 3 5 1 36.15 1.92 2.4847 5 1 1 36.16 3.17 2.4840 -5 5 1 36.48 5.69 2.4630 2 6 1 36.54 3.27 2.4593 4 4 1 36.65 3.75 2.4522 -2 0 3 36.83 1.30 2.4404 -4 6 1 36.85 2.65 2.4390 -7 1 1 37.12 2.47 2.4222 -6 4 1 37.14 2.18 2.4208 3 1 2 37.75 1.90 2.3829 4 6 0 38.28 4.22 2.3515 -7 1 2 38.38 1.86 2.3451 -4 2 3 38.84 2.09 2.3188 -5 1 3 39.66 1.87 2.2727 6 4 0 39.87 1.09 2.2612 3 3 2 42.07 1.74 2.1475 -6 2 3 42.62 1.09 2.1212 -2 8 1 42.67 2.21 2.1189 6 2 1 42.77 1.61 2.1144 7 3 0 43.17 3.29 2.0956 4 6 1 43.46 1.68 2.0824 -3 7 2 43.67 1.24 2.0726 -6 6 1 43.67 1.97 2.0725 3 7 1 44.07 1.38 2.0549 5 5 1 45.75 3.18 1.9832 -6 4 3 45.79 5.97 1.9815 -1 5 3 45.88 2.18 1.9777 -7 5 2 45.91 1.21 1.9766 6 6 0 45.97 1.23 1.9743 1 9 0 46.31 1.26 1.9606 6 4 1 46.71 1.19 1.9447 5 1 2 46.98 2.58 1.9343 -8 4 1 47.46 1.17 1.9155 -8 4 2 48.03 2.23 1.8942 -9 1 2 48.92 1.01 1.8618 3 9 0 49.17 1.27 1.8529 -4 0 4 49.63 2.04 1.8370 -3 1 4 50.61 1.33 1.8036 0 6 3 50.95 1.17 1.7923 -6 0 4 50.99 1.64 1.7909 0 10 0 51.28 1.57 1.7817 4 8 1 51.82 3.77 1.7643 -3 3 4 52.27 1.95 1.7503 3 3 3 52.61 1.54 1.7398 -3 9 2 52.62 4.44 1.7395 -7 7 2 52.79 2.01 1.7340 3 9 1 52.87 3.61 1.7317 0 10 1 54.13 2.16 1.6942 7 7 0 55.74 2.74 1.6490 8 6 0 55.78 3.82 1.6479 2 6 3 55.94 2.20 1.6436 -10 0 3 56.39 1.31 1.6316 4 10 0 56.40 2.31 1.6313 -8 2 4 56.45 3.48 1.6301 3 5 3 57.31 1.04 1.6077 8 4 1 57.57 1.05 1.6010 7 1 2 58.30 1.28 1.5827 10 0 0 58.67 1.60 1.5735 -6 8 3 60.52 1.12 1.5299 4 10 1 62.22 1.13 1.4920 8 6 1 62.67 1.35 1.4824 8 8 0 63.43 1.14 1.4666 2 12 0 64.12 1.78 1.4523 1 9 3 64.82 1.59 1.4383 -2 0 5 65.25 1.31 1.4299 -5 11 2 65.67 1.87 1.4218 -12 2 2 66.41 1.34 1.4077 -4 12 1 66.67 1.18 1.4029 10 2 1 66.77 1.56 1.4009 -11 5 3 68.22 1.59 1.3747 -8 10 1 68.23 1.21 1.3746 -11 3 4 68.51 1.39 1.3697 -5 5 5 69.00 1.14 1.3611 7 7 2 70.04 1.77 1.3434 -7 5 5 70.10 1.33 1.3423 -7 11 2 72.02 1.57 1.3113 2 12 2 74.39 1.25 1.2752 -2 10 4 74.63 1.30 1.2717 -4 12 3 77.06 1.56 1.2376 -9 11 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.