Heulandite-Ca Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050097 Merkle A B, Slaughter M American Mineralogist 52 (1967) 273-276 The crystal structure of heulandite (Ca,Na2)[Al2Si7O18].6H2O CELL PARAMETERS: 17.7200 17.9150 7.4233 90.000 116.470 90.000 SPACE GROUP: Cm ATOM X Y Z OCCUPANCY ISO(B) Ca 0.14700 0.00000 0.81100 1.000 1.300 Ca 0.43500 0.00000 0.14700 1.000 1.300 Ca 0.24200 0.50000 0.30000 1.000 1.300 Si 0.10900 0.16800 0.40500 0.733 0.500 Al 0.10900 0.16800 0.40500 0.267 0.600 Si 0.00200 0.09300 0.00000 0.733 0.500 Al 0.00200 0.09300 0.00000 0.267 0.600 Si 0.08000 0.18400 0.78200 0.733 0.500 Al 0.08000 0.18400 0.78200 0.267 0.600 Si 0.34200 0.30400 0.90900 0.733 0.500 Al 0.34200 0.30400 0.90900 0.267 0.600 Si 0.28700 0.21600 0.50000 0.733 0.500 Al 0.28700 0.21600 0.50000 0.267 0.600 Si 0.49500 0.19800 0.21600 0.733 0.500 Al 0.49500 0.19800 0.21600 0.267 0.600 Si 0.46800 0.17300 0.59300 0.733 0.500 Al 0.46800 0.17300 0.59300 0.267 0.600 Si 0.21600 0.30200 0.08600 0.733 0.500 Al 0.21600 0.30200 0.08600 0.267 0.600 Si 0.07200 0.41500 0.00000 0.733 0.500 Al 0.07200 0.41500 0.00000 0.267 0.600 O 0.98300 0.00000 0.94700 1.000 1.000 O 0.06100 0.13000 0.90000 1.000 1.000 O 0.10200 0.14300 0.60500 1.000 1.000 O 0.04400 0.12200 0.23500 1.000 1.000 O 0.29200 0.33800 0.01800 1.000 1.000 O 0.21100 0.16700 0.42800 1.000 1.000 O 0.14200 0.25600 0.94300 1.000 1.000 O 0.29500 0.25900 0.67900 1.000 1.000 O 0.08400 0.24700 0.31400 1.000 1.000 O 0.27900 0.28300 0.31300 1.000 1.000 O 0.37000 0.15100 0.55900 1.000 1.000 O 0.02300 0.40400 0.75300 1.000 1.000 O 0.08100 0.50000 0.04400 1.000 1.000 O 0.46300 0.16200 0.36200 1.000 1.000 O 0.49200 0.26300 0.66300 1.000 1.000 O 0.40400 0.37600 0.90600 1.000 1.000 O 0.02000 0.38000 0.11700 1.000 1.000 O 0.17000 0.38300 0.10900 1.000 1.000 O 0.40700 0.23300 0.05500 1.000 1.000 Wa 0.00600 0.00000 0.52800 0.667 1.000 Wa 0.29400 0.50000 0.03800 0.667 1.000 Wa 0.29600 0.50000 0.76700 0.667 1.000 Wa 0.06500 0.50000 0.51800 0.667 1.000 Wa 0.38600 0.00000 0.77200 0.667 1.000 Wa 0.20900 0.00000 0.60100 0.667 1.000 Wa 0.25600 0.13700 0.00500 0.667 1.000 Wa 0.21100 0.42300 0.50900 0.667 1.000 Wa 0.36000 0.42400 0.46900 0.667 1.000 Wa 0.38900 0.00000 0.40400 0.667 1.000 Wa 0.37900 0.00000 0.29100 0.667 1.000 Wa 0.20800 0.00000 0.45000 0.667 1.000 Wa 0.37500 0.00000 0.52000 0.667 1.000 Wa 0.22200 0.17200 0.10900 0.667 1.000 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: 2.963629596 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.44 8.51 11.8761 1 1 0 9.87 100.00 8.9575 0 2 0 11.16 41.70 7.9312 2 0 0 12.91 3.18 6.8553 -1 1 1 13.02 39.12 6.7996 -2 0 1 13.32 26.73 6.6451 0 0 1 14.92 7.44 5.9380 2 2 0 15.86 16.97 5.5887 1 3 0 16.37 4.08 5.4159 -2 2 1 16.61 1.59 5.3369 0 2 1 16.86 52.41 5.2589 -3 1 1 17.33 94.42 5.1169 1 1 1 17.49 54.54 5.0712 3 1 0 19.08 45.79 4.6522 -1 3 1 19.82 4.12 4.4788 0 4 0 20.33 15.54 4.3683 -4 0 1 20.92 2.48 4.2464 2 0 1 22.34 41.03 3.9803 1 3 1 22.42 19.35 3.9656 4 0 0 22.46 24.74 3.9587 3 3 0 22.65 28.09 3.9263 -4 2 1 22.80 45.20 3.8999 2 4 0 23.18 43.68 3.8370 2 2 1 23.79 3.57 3.7403 -2 4 1 23.96 10.39 3.7139 0 4 1 23.99 17.60 3.7100 -2 0 2 24.55 11.55 3.6261 4 2 0 24.98 31.62 3.5640 -3 1 2 25.31 12.00 3.5188 -1 1 2 25.49 10.27 3.4949 1 5 0 25.64 12.61 3.4745 -5 1 1 26.00 44.37 3.4276 -2 2 2 26.21 31.07 3.3998 -4 0 2 26.27 1.91 3.3922 3 1 1 26.83 19.42 3.3225 0 0 2 28.07 48.98 3.1785 -4 2 2 28.54 30.90 3.1272 -4 4 1 28.57 2.17 3.1239 5 1 0 28.74 1.12 3.1061 -3 3 2 28.98 3.91 3.0815 2 4 1 29.03 14.24 3.0760 -1 3 2 29.42 14.96 3.0361 -5 1 2 29.76 16.19 3.0023 -3 5 1 29.88 16.55 2.9904 3 3 1 29.93 22.94 2.9858 0 6 0 30.04 56.23 2.9752 1 5 1 30.10 2.52 2.9690 4 4 0 30.13 50.26 2.9661 3 5 0 30.25 19.02 2.9541 1 1 2 30.31 8.17 2.9491 -6 0 1 30.99 10.94 2.8860 4 0 1 31.31 2.82 2.8571 -2 4 2 31.94 70.92 2.8017 5 3 0 31.95 19.14 2.8012 -6 2 1 32.03 3.20 2.7944 2 6 0 32.60 2.91 2.7469 4 2 1 32.71 7.53 2.7378 -5 3 2 32.76 26.62 2.7339 -2 6 1 32.89 6.25 2.7235 0 6 1 33.08 1.57 2.7080 -4 4 2 33.47 2.90 2.6772 1 3 2 33.57 1.23 2.6696 2 0 2 33.58 8.08 2.6684 0 4 2 33.91 1.34 2.6437 6 0 0 34.10 5.30 2.6294 -6 2 2 35.07 9.22 2.5584 2 2 2 35.16 5.70 2.5523 -3 5 2 35.40 10.69 2.5356 6 2 0 35.40 8.59 2.5356 -1 5 2 35.53 15.20 2.5266 1 7 0 35.64 7.14 2.5189 -5 5 1 36.07 5.11 2.4899 -7 1 1 36.12 6.99 2.4870 3 5 1 36.45 2.70 2.4650 -4 6 1 36.48 4.50 2.4631 -6 4 1 36.60 1.86 2.4550 -4 0 3 36.80 11.21 2.4425 2 6 1 36.95 7.03 2.4327 -2 0 3 37.06 14.72 2.4259 4 4 1 37.07 4.21 2.4251 -7 1 2 37.71 4.67 2.3853 4 6 0 38.00 10.74 2.3677 -4 2 3 38.12 3.65 2.3608 -5 1 3 38.21 5.70 2.3556 3 1 2 38.34 3.86 2.3477 -2 2 3 38.41 4.75 2.3439 -6 4 2 38.54 1.93 2.3359 -5 5 2 38.71 2.30 2.3261 -2 6 2 38.81 3.56 2.3205 -3 7 1 39.03 2.78 2.3079 1 7 1 39.10 5.70 2.3036 3 7 0 39.29 6.67 2.2932 2 4 2 39.43 1.90 2.2851 -3 3 3 39.52 3.29 2.2802 5 3 1 39.59 5.41 2.2767 6 4 0 39.80 1.85 2.2647 -7 3 2 40.11 1.83 2.2481 7 1 0 40.27 4.57 2.2394 0 8 0 40.87 2.43 2.2079 3 3 2 41.08 5.15 2.1973 -6 2 3 41.31 2.69 2.1856 -8 0 1 41.97 2.68 2.1528 -4 4 3 42.02 1.96 2.1503 0 2 3 42.28 4.62 2.1377 -2 4 3 42.58 3.65 2.1233 -8 2 1 42.58 4.64 2.1232 4 0 2 42.68 8.41 2.1186 7 3 0 42.81 2.75 2.1125 -7 1 3 43.23 3.83 2.0930 -3 7 2 43.29 15.13 2.0900 6 2 1 43.43 1.78 2.0837 -1 7 2 43.62 11.27 2.0751 4 6 1 44.00 1.58 2.0581 -7 5 1 44.02 3.09 2.0573 1 1 3 44.51 2.37 2.0355 -3 5 3 44.82 8.41 2.0223 -6 4 3 44.85 3.95 2.0210 -7 5 2 45.54 2.42 1.9919 5 7 0 45.76 1.75 1.9828 8 0 0 45.81 1.39 1.9808 2 8 1 45.84 2.68 1.9793 6 6 0 45.95 1.15 1.9751 1 9 0 46.11 3.43 1.9686 -5 7 2 46.22 3.36 1.9642 -8 4 1 46.24 6.21 1.9631 -8 4 2 46.32 19.42 1.9600 -1 5 3 46.41 1.03 1.9566 1 3 3 46.61 4.21 1.9485 -9 1 2 46.89 11.17 1.9378 6 4 1 46.93 1.22 1.9359 8 2 0 47.01 2.34 1.9329 -8 2 3 47.27 1.31 1.9229 2 0 3 47.28 2.27 1.9226 -1 9 1 48.42 1.53 1.8800 2 2 3 48.69 1.93 1.8701 -4 8 2 48.83 2.07 1.8652 1 9 1 48.89 2.68 1.8629 3 9 0 48.91 3.66 1.8624 -9 3 2 49.11 4.00 1.8550 -4 0 4 49.57 1.67 1.8391 -5 1 4 49.85 2.49 1.8293 -7 5 3 49.93 4.73 1.8265 -3 1 4 50.17 2.83 1.8184 -6 0 4 50.18 2.10 1.8180 5 3 2 50.40 1.17 1.8106 -8 4 3 50.56 1.85 1.8053 -6 6 3 50.93 1.02 1.7930 1 5 3 50.98 6.15 1.7915 0 10 0 51.36 2.73 1.7790 0 6 3 51.37 2.36 1.7785 -3 7 3 51.45 4.92 1.7762 5 7 1 51.61 1.57 1.7710 3 1 3 51.61 1.91 1.7709 -10 0 2 51.66 2.47 1.7692 4 8 1 51.68 14.50 1.7689 -7 7 2 51.76 1.40 1.7661 -5 3 4 51.84 1.02 1.7636 -8 6 1 51.97 1.10 1.7594 -2 2 4 52.00 1.16 1.7585 -7 1 4 52.11 4.08 1.7550 -3 3 4 52.40 5.41 1.7461 -3 9 2 52.49 3.44 1.7435 -5 7 3 52.69 2.54 1.7373 -10 2 2 52.75 1.05 1.7353 -5 9 1 52.92 1.38 1.7303 4 6 2 52.93 3.30 1.7297 0 10 1 53.10 6.13 1.7247 3 9 1 53.40 2.39 1.7157 2 8 2 53.74 2.67 1.7056 3 3 3 53.82 1.40 1.7033 8 0 1 53.94 1.84 1.6999 -8 0 4 53.96 3.77 1.6992 -9 5 1 54.05 3.48 1.6966 7 7 0 54.06 4.73 1.6963 -10 0 3 54.41 3.02 1.6861 5 9 0 54.46 1.24 1.6848 -6 4 4 54.98 8.13 1.6701 -8 2 4 55.15 2.29 1.6654 -1 3 4 55.43 1.83 1.6575 -4 10 1 55.64 4.23 1.6518 8 6 0 55.69 2.70 1.6506 2 10 1 55.80 5.96 1.6476 -2 8 3 55.84 1.09 1.6465 4 0 3 55.97 3.76 1.6430 -5 5 4 56.30 2.39 1.6340 -3 5 4 56.32 1.64 1.6334 0 2 4 56.35 1.59 1.6326 4 10 0 56.96 11.26 1.6166 2 6 3 56.99 1.19 1.6160 -9 1 4 57.09 1.41 1.6133 -2 10 2 57.18 1.10 1.6109 -10 4 1 57.85 4.49 1.5940 3 5 3 57.89 4.89 1.5930 -6 8 3 57.92 1.52 1.5921 8 4 1 58.16 2.10 1.5862 10 0 0 58.22 1.04 1.5848 -7 5 4 58.35 1.17 1.5815 9 5 0 58.62 1.08 1.5747 1 1 4 58.91 1.96 1.5678 7 1 2 58.99 1.60 1.5659 -9 3 4 59.06 1.55 1.5642 -11 1 3 59.06 4.35 1.5641 -8 8 1 59.15 1.42 1.5619 10 2 0 59.32 1.03 1.5578 1 11 1 59.38 2.29 1.5565 3 11 0 59.62 4.48 1.5507 6 8 1 60.04 1.73 1.5410 -9 7 1 60.69 2.21 1.5259 3 9 2 60.86 1.47 1.5221 4 10 1 60.98 1.18 1.5194 5 1 3 61.02 1.32 1.5185 -11 3 3 61.91 1.17 1.4987 -5 7 4 62.06 1.31 1.4955 7 9 0 62.18 3.71 1.4929 0 12 0 62.18 3.29 1.4928 9 3 1 62.29 2.01 1.4906 -9 7 3 62.57 6.94 1.4845 8 8 0 62.64 2.52 1.4831 -8 8 3 62.64 1.67 1.4831 6 10 0 62.81 1.30 1.4795 8 6 1 62.90 2.21 1.4775 5 3 3 63.69 1.51 1.4612 3 7 3 63.99 5.44 1.4550 -12 2 2 64.04 1.64 1.4539 -4 2 5 64.15 2.88 1.4517 0 6 4 64.16 1.57 1.4516 9 7 0 64.75 4.63 1.4398 -5 11 2 64.83 2.50 1.4381 -11 5 3 64.98 6.20 1.4351 1 9 3 65.20 2.21 1.4309 -11 5 1 65.20 3.49 1.4308 1 11 2 65.52 2.41 1.4246 8 2 2 65.58 3.69 1.4236 -12 0 1 65.67 1.46 1.4218 -8 2 5 65.88 3.83 1.4178 -2 0 5 65.96 1.07 1.4162 9 5 1 66.00 1.54 1.4155 6 0 3 66.00 4.23 1.4154 -11 3 4 66.15 2.36 1.4127 -4 12 1 66.47 1.04 1.4067 -6 4 5 66.53 1.99 1.4055 -6 10 3 66.84 2.04 1.3997 -4 4 5 66.85 1.95 1.3994 -9 1 5 66.93 2.19 1.3981 6 2 3 67.01 1.56 1.3967 -9 9 2 67.21 1.19 1.3929 0 10 3 67.34 2.73 1.3906 10 2 1 67.62 2.81 1.3855 -8 10 1 68.43 4.19 1.3711 -5 5 5 68.53 1.47 1.3692 4 10 2 68.66 1.79 1.3669 -7 11 1 69.05 1.76 1.3602 -3 11 3 69.07 1.41 1.3599 -10 0 5 69.22 4.31 1.3573 -7 5 5 69.30 3.68 1.3559 -7 11 2 69.41 1.66 1.3540 -8 8 4 69.96 2.78 1.3448 -3 5 5 70.21 2.75 1.3406 7 7 2 70.34 1.24 1.3383 -11 7 3 70.42 1.27 1.3370 -1 11 3 70.56 1.70 1.3348 4 0 4 70.70 3.59 1.3325 -11 7 1 71.02 2.00 1.3272 -6 6 5 71.03 1.09 1.3270 9 1 2 71.34 1.55 1.3221 -12 6 2 71.45 1.08 1.3203 -13 3 3 72.10 3.12 1.3100 5 7 3 72.18 2.04 1.3088 -12 6 3 72.55 4.23 1.3030 2 12 2 73.31 1.24 1.2913 11 1 1 73.63 1.15 1.2865 7 3 3 73.74 1.06 1.2849 -1 5 5 73.78 2.12 1.2843 -5 13 1 74.02 1.27 1.2807 -2 6 5 74.37 3.67 1.2756 -4 12 3 74.43 1.52 1.2746 1 1 5 74.47 1.13 1.2741 0 4 5 74.52 1.34 1.2733 10 6 1 74.90 4.55 1.2678 -2 10 4 75.07 1.70 1.2653 11 3 1 75.17 3.49 1.2640 5 13 0 75.21 1.40 1.2633 2 14 0 75.65 1.22 1.2571 -14 0 2 75.73 1.66 1.2559 5 1 4 75.97 3.02 1.2527 -9 11 2 77.03 1.37 1.2380 0 12 3 77.06 1.62 1.2376 -10 6 5 77.28 1.21 1.2346 7 9 2 77.41 1.54 1.2329 -7 1 6 77.42 2.49 1.2328 -8 12 1 77.51 4.36 1.2315 -12 8 2 77.71 1.90 1.2288 -13 5 1 77.91 2.94 1.2262 6 12 1 77.98 1.09 1.2252 2 14 1 78.02 1.13 1.2248 2 0 5 78.09 2.84 1.2238 -14 0 4 78.23 1.13 1.2220 10 2 2 78.56 1.68 1.2176 11 5 1 78.88 1.30 1.2135 2 2 5 79.20 1.24 1.2095 -9 1 6 79.64 1.35 1.2038 -3 13 3 80.12 1.15 1.1979 -2 8 5 80.14 1.94 1.1976 -4 14 2 80.23 1.30 1.1965 6 8 3 81.44 1.86 1.1817 -13 3 5 81.77 1.49 1.1778 6 2 4 81.95 2.51 1.1757 -11 9 4 82.61 1.25 1.1680 -10 10 4 83.09 1.13 1.1624 -10 8 5 84.84 1.05 1.1429 -14 2 5 85.75 1.13 1.1330 14 0 0 85.87 1.02 1.1317 -5 15 1 85.97 2.57 1.1307 9 3 3 87.80 1.87 1.1118 -2 10 5 88.37 1.41 1.1061 -10 6 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.