Heulandite-Ca Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050017 Merkle A B, Slaughter M American Mineralogist 53 (1968) 1120-1138 Determination and refinement of the structure of heulandite CELL PARAMETERS: 17.6810 17.9020 7.4150 90.000 116.440 90.000 SPACE GROUP: Cm ATOM X Y Z OCCUPANCY ISO(B) Ca 0.14170 0.00000 0.84780 0.340 2.950 Ca 0.43550 0.00000 0.17760 0.380 3.910 Ca 0.24030 0.50000 0.29890 0.480 2.350 Si 0.10750 0.16930 0.40490 0.750 1.320 Al 0.10750 0.16930 0.40490 0.250 1.320 Al 0.99680 0.90960 0.00560 0.750 1.830 Si 0.99680 0.90960 0.00560 0.250 1.830 Si 0.07730 0.19170 0.78800 1.000 1.240 Si 0.34880 0.30200 0.91070 0.600 1.230 Al 0.34880 0.30200 0.91070 0.400 1.230 Si 0.28520 0.21520 0.50750 1.000 1.140 Si 0.49070 0.19070 0.21880 1.000 0.890 Si 0.46520 0.17080 0.59780 0.750 0.680 Al 0.46520 0.17080 0.59780 0.250 0.680 Si 0.22040 0.29900 0.08990 1.000 1.350 Al 0.07140 0.41040 0.00430 0.750 0.760 Si 0.07140 0.41040 0.00430 0.250 0.760 O 0.98200 0.00000 0.97460 1.000 3.010 O 0.06260 0.12020 0.89310 1.000 1.800 O 0.09660 0.14990 0.61040 1.000 3.330 O 0.04560 0.10870 0.25660 1.000 1.970 O 0.28510 0.33180 0.00770 1.000 2.210 O 0.20690 0.16210 0.43860 1.000 1.830 O 0.15520 0.24250 0.95410 1.000 4.070 O 0.29510 0.26850 0.68900 1.000 2.340 O 0.07170 0.25520 0.32400 1.000 1.660 O 0.27750 0.26460 0.31960 1.000 2.600 O 0.36660 0.16130 0.56730 1.000 1.620 O 0.01750 0.39840 0.75520 1.000 2.450 O 0.09330 0.50000 0.08730 1.000 3.030 O 0.46080 0.15750 0.37740 1.000 0.360 O 0.49780 0.25510 0.64500 1.000 3.510 O 0.40850 0.37580 0.91590 1.000 4.300 O 0.01980 0.38120 0.11670 1.000 3.420 O 0.16990 0.37460 0.12340 1.000 1.310 O 0.41000 0.23280 0.05530 1.000 1.820 Wa 0.99570 0.00000 0.46860 1.000 0.880 Wa 0.03880 0.50000 0.46480 1.000 1.130 Wa 0.20050 0.40790 0.52700 1.000 4.890 Wa 0.27650 0.50000 0.96340 1.000 5.980 Wa 0.35450 0.42670 0.46830 1.000 5.250 Wa 0.36650 0.00000 0.75430 1.000 3.170 Wa 0.15480 0.00000 0.15530 0.300 4.200 Wa 0.19850 0.00000 0.59980 0.320 4.000 Wa 0.28820 0.10010 0.05520 0.300 4.100 Wa 0.36280 0.00000 0.40000 0.180 4.100 Wa 0.28980 0.00000 0.30300 0.150 4.100 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 14 +/- 16 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 6.808682561 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.45 22.41 11.8594 1 1 0 9.88 100.00 8.9510 0 2 0 11.18 38.12 7.9158 2 0 0 12.93 3.68 6.8482 -1 1 1 13.04 16.73 6.7884 -2 0 1 13.34 2.84 6.6394 0 0 1 14.94 7.01 5.9297 2 2 0 15.87 2.28 5.5838 1 3 0 16.39 2.67 5.4089 -2 2 1 16.62 2.98 5.3326 0 2 1 16.89 6.81 5.2488 -3 1 1 17.35 18.76 5.1119 1 1 1 17.52 8.92 5.0618 3 1 0 19.09 14.15 4.6481 -1 3 1 20.37 6.80 4.3588 -4 0 1 22.36 44.25 3.9768 1 3 1 22.46 12.18 3.9579 4 0 0 22.49 28.32 3.9531 3 3 0 22.69 15.78 3.9189 -4 2 1 22.83 16.27 3.8959 2 4 0 23.21 3.60 3.8329 2 2 1 23.81 3.34 3.7365 -2 4 1 24.01 4.63 3.7060 -2 0 2 25.02 8.61 3.5593 -3 1 2 25.33 1.64 3.5157 -1 1 2 25.51 2.12 3.4922 1 5 0 25.69 7.97 3.4671 -5 1 1 26.02 21.90 3.4241 -2 2 2 26.26 10.90 3.3942 -4 0 2 26.31 1.63 3.3878 3 1 1 26.86 10.63 3.3197 0 0 2 28.12 23.15 3.1737 -4 2 2 28.59 15.45 3.1226 -4 4 1 28.78 3.15 3.1024 -3 3 2 29.00 1.44 3.0785 2 4 1 29.05 11.76 3.0734 -1 3 2 29.47 1.97 3.0305 -5 1 2 29.79 11.57 2.9990 -3 5 1 29.92 1.09 2.9868 3 3 1 29.95 1.36 2.9837 0 6 0 30.06 22.34 2.9728 1 5 1 30.16 13.71 2.9628 3 5 0 30.28 13.60 2.9515 1 1 2 30.38 1.08 2.9426 -6 0 1 31.03 2.13 2.8818 4 0 1 32.00 20.48 2.7970 5 3 0 32.02 9.68 2.7954 -6 2 1 32.76 1.45 2.7333 -5 3 2 32.79 7.73 2.7315 -2 6 1 32.91 2.85 2.7215 0 6 1 33.50 1.93 2.6749 1 3 2 33.61 1.30 2.6663 0 4 2 35.11 1.55 2.5560 2 2 2 35.43 2.15 2.5335 -1 5 2 35.47 2.78 2.5309 6 2 0 35.56 1.96 2.5247 1 7 0 35.70 3.23 2.5152 -5 5 1 36.16 1.55 2.4844 3 5 1 36.49 1.08 2.4621 -4 6 1 36.55 1.91 2.4588 -6 4 1 36.83 1.03 2.4404 5 1 1 36.83 7.83 2.4403 2 6 1 36.99 2.06 2.4304 -2 0 3 37.10 5.75 2.4230 4 4 1 37.15 3.95 2.4200 -7 1 2 37.76 1.27 2.3825 4 6 0 38.05 1.86 2.3648 -4 2 3 38.18 1.42 2.3573 -5 1 3 38.38 2.80 2.3455 -2 2 3 39.65 1.38 2.2730 6 4 0 41.15 2.96 2.1938 -6 2 3 42.32 2.04 2.1358 -2 4 3 42.63 1.12 2.1207 4 0 2 42.76 1.52 2.1149 7 3 0 43.27 2.36 2.0910 -3 7 2 43.36 2.90 2.0868 6 2 1 43.67 2.41 2.0728 4 6 1 44.89 3.33 2.0194 -6 4 3 44.93 1.78 2.0177 -7 5 2 45.91 1.01 1.9766 6 6 0 46.31 1.49 1.9605 -8 4 1 46.34 1.63 1.9594 -8 4 2 46.36 4.79 1.9583 -1 5 3 46.72 2.27 1.9443 -9 1 2 46.96 1.24 1.9350 6 4 1 47.11 1.47 1.9293 -8 2 3 47.46 1.38 1.9156 -2 8 2 48.94 1.67 1.8613 3 9 0 49.98 1.79 1.8247 -3 1 4 50.24 1.42 1.8159 -6 0 4 51.02 1.94 1.7902 0 10 0 51.43 1.01 1.7769 -3 7 3 51.72 1.84 1.7675 4 8 1 51.76 4.56 1.7663 -7 7 2 52.17 2.17 1.7533 -3 3 4 52.45 1.04 1.7446 -3 9 2 52.55 1.31 1.7415 -5 7 3 52.98 2.02 1.7285 0 10 1 53.15 1.51 1.7232 3 9 1 54.13 1.71 1.6942 7 7 0 54.18 1.37 1.6928 -10 0 3 55.08 1.79 1.6674 -8 2 4 55.74 2.00 1.6492 8 6 0 55.85 1.54 1.6462 -2 8 3 56.41 1.02 1.6311 4 10 0 57.02 3.50 1.6152 2 6 3 57.91 3.08 1.5925 3 5 3 57.96 1.40 1.5911 -6 8 3 58.28 1.07 1.5832 10 0 0 59.16 1.03 1.5618 -8 8 1 62.67 2.04 1.4824 8 8 0 64.15 1.43 1.4518 -12 2 2 64.97 1.80 1.4354 -11 5 3 65.04 1.65 1.4340 1 9 3 65.26 1.35 1.4297 1 11 2 65.94 1.01 1.4165 -2 0 5 66.14 1.99 1.4127 -11 3 4 67.72 1.44 1.3837 -8 10 1 68.51 1.25 1.3696 -5 5 5 69.31 2.25 1.3557 -7 5 5 69.39 1.42 1.3543 -7 11 2 72.61 1.40 1.3020 2 12 2 74.44 1.13 1.2745 -4 12 3 74.97 1.59 1.2668 -2 10 4 75.25 1.02 1.2628 5 13 0 76.08 1.53 1.2510 -9 11 2 77.67 1.29 1.2294 -12 8 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.