Gismondine Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R060809 Fischer K F American Mineralogist 48 (1963) 664-672 The crystal structure determination of the zeolite gismondite. CaAl2Si2O8.4H2O CELL PARAMETERS: 10.0550 10.6670 9.8740 90.000 92.520 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Si 0.41500 0.11300 0.18200 1.000 0.500 Si 0.90800 0.87000 0.16000 1.000 0.500 Al 0.09700 0.11300 0.17000 1.000 0.600 Al 0.59000 0.86700 0.14900 1.000 0.600 Ca 0.72000 0.07700 0.35400 1.000 1.300 O 0.07800 0.15400 -0.00100 1.000 1.000 O 0.26200 0.07500 0.21200 1.000 1.000 O 0.43800 0.14500 0.02600 1.000 1.000 O 0.24600 0.40700 0.30300 1.000 1.000 O 0.00000 -0.01700 0.21500 1.000 1.000 O 0.04400 0.24200 0.26100 1.000 1.000 O 0.46300 0.22400 0.27600 1.000 1.000 O 0.51100 -0.00500 0.22600 1.000 1.000 Wa 0.25700 0.10700 0.50500 1.000 1.000 Wa 0.59000 0.12700 0.53900 1.000 1.000 Wa 0.91100 0.11900 0.50100 1.000 1.000 Wa 0.77000 0.21000 0.17000 0.500 1.000 Wa 0.74000 0.18000 0.89500 0.500 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 9 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 3.478208464 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.80 7.10 10.0453 1 0 0 12.10 82.43 7.3130 1 1 0 12.22 5.26 7.2423 0 1 1 14.85 10.46 5.9668 -1 1 1 15.31 21.61 5.7868 1 1 1 16.62 7.52 5.3335 0 2 0 17.66 14.60 5.0226 2 0 0 17.98 46.12 4.9322 0 0 2 18.92 14.54 4.6916 0 2 1 19.54 1.55 4.5441 2 1 0 19.70 10.02 4.5064 -1 0 2 19.83 12.18 4.4768 0 1 2 20.41 4.84 4.3523 1 0 2 20.73 100.00 4.2854 -1 2 1 21.07 36.35 4.2172 1 2 1 21.20 32.42 4.1911 -2 1 1 21.41 6.39 4.1512 -1 1 2 21.86 28.03 4.0662 2 1 1 22.06 10.24 4.0298 1 1 2 24.34 7.01 3.6565 2 2 0 24.58 5.35 3.6212 0 2 2 24.74 6.27 3.5991 -2 0 2 25.71 2.73 3.4649 -2 2 1 25.88 11.60 3.4422 -1 2 2 26.13 2.01 3.4103 -2 1 2 26.26 3.65 3.3933 2 2 1 26.43 5.35 3.3720 1 2 2 26.59 18.02 3.3519 1 3 0 26.65 11.30 3.3450 0 3 1 27.21 1.24 3.2776 2 1 2 27.93 68.52 3.1947 3 1 0 28.40 85.92 3.1422 0 1 3 29.02 1.63 3.0774 -3 1 1 29.42 5.01 3.0355 -1 1 3 29.75 15.53 3.0026 3 1 1 31.01 3.27 2.8843 0 3 2 31.55 1.57 2.8359 3 2 0 31.63 7.34 2.8287 -3 0 2 31.98 4.96 2.7990 0 2 3 32.06 1.75 2.7914 -1 3 2 32.38 2.73 2.7651 2 3 1 32.52 5.36 2.7536 1 3 2 32.53 75.26 2.7528 -3 2 1 32.75 13.13 2.7342 -3 1 2 32.90 50.51 2.7227 -1 2 3 32.98 5.78 2.7157 -2 1 3 32.99 5.92 2.7154 3 0 2 33.19 81.11 2.6989 3 2 1 33.56 19.85 2.6705 1 2 3 33.61 56.09 2.6667 0 4 0 34.07 28.43 2.6315 3 1 2 34.29 5.08 2.6149 2 1 3 34.85 3.69 2.5743 0 4 1 35.49 12.43 2.5295 -2 3 2 35.75 3.72 2.5113 4 0 0 35.91 4.40 2.5007 -1 4 1 36.12 1.41 2.4869 1 4 1 36.15 3.07 2.4848 -2 2 3 36.31 6.23 2.4739 2 3 2 36.43 3.38 2.4661 0 0 4 37.25 16.82 2.4141 0 3 3 37.43 2.47 2.4027 0 1 4 37.53 5.86 2.3968 -4 1 1 38.14 6.96 2.3598 -1 1 4 38.21 1.13 2.3553 2 4 0 38.37 16.61 2.3458 0 4 2 38.46 1.91 2.3409 -3 1 3 39.14 3.10 2.3017 -2 4 1 39.52 5.58 2.2803 2 4 1 39.67 2.98 2.2721 4 2 0 40.01 10.74 2.2532 -2 0 4 40.94 2.21 2.2046 -2 1 4 40.96 3.29 2.2036 -1 2 4 41.04 10.25 2.1992 4 0 2 41.12 1.34 2.1951 4 2 1 41.50 1.93 2.1761 2 0 4 41.69 1.70 2.1665 1 2 4 41.86 8.64 2.1581 3 3 2 42.05 1.57 2.1489 2 3 3 42.17 6.53 2.1427 -2 4 2 42.89 5.36 2.1086 2 4 2 43.36 3.22 2.0869 1 5 0 43.40 2.82 2.0852 0 5 1 43.70 2.02 2.0712 0 4 3 44.13 7.18 2.0523 -3 4 1 44.15 2.31 2.0513 4 3 0 44.41 12.69 2.0397 -1 4 3 44.57 1.35 2.0331 4 2 2 44.93 12.61 2.0175 1 4 3 45.13 1.98 2.0091 5 0 0 45.51 8.36 1.9930 -3 1 4 45.97 5.21 1.9743 5 1 0 46.82 1.00 1.9404 -3 4 2 46.83 5.33 1.9400 0 1 5 47.03 3.04 1.9322 -2 5 1 47.27 4.13 1.9228 4 1 3 47.34 3.51 1.9203 -1 1 5 47.35 1.30 1.9200 5 1 1 47.36 2.10 1.9195 2 5 1 47.38 3.56 1.9186 -4 3 2 47.51 5.81 1.9137 3 1 4 47.74 2.30 1.9050 -4 2 3 48.15 4.26 1.8896 1 1 5 48.68 1.01 1.8703 4 3 2 48.94 5.76 1.8610 -5 2 1 48.95 3.08 1.8609 -5 1 2 49.08 6.11 1.8561 2 3 4 49.73 3.03 1.8333 -1 2 5 49.88 12.13 1.8283 4 4 0 50.40 1.19 1.8106 0 4 4 50.52 3.91 1.8065 1 2 5 50.74 1.85 1.7992 3 5 0 51.03 10.56 1.7897 0 5 3 51.21 3.94 1.7839 2 1 5 51.21 1.47 1.7837 -3 4 3 51.40 1.75 1.7778 0 6 0 51.67 2.96 1.7692 -4 3 3 51.87 3.21 1.7627 3 5 1 51.89 19.58 1.7621 -3 3 4 52.60 2.50 1.7400 3 4 3 52.85 3.16 1.7324 -4 4 2 53.06 1.18 1.7260 -1 6 1 53.19 1.17 1.7221 4 0 4 53.21 3.02 1.7214 1 6 1 53.48 3.23 1.7135 2 2 5 53.49 2.18 1.7130 4 3 3 53.71 10.77 1.7066 3 3 4 54.05 1.65 1.6967 4 4 2 54.42 4.18 1.6860 2 4 4 54.77 5.42 1.6759 2 6 0 54.83 21.12 1.6742 6 0 0 54.87 1.44 1.6733 2 5 3 54.90 1.86 1.6725 0 6 2 55.57 1.25 1.6538 -1 6 2 55.76 9.43 1.6486 -3 2 5 55.86 1.50 1.6458 1 6 2 55.93 11.25 1.6441 0 0 6 56.65 2.56 1.6249 0 1 6 56.83 1.52 1.6200 -4 4 3 57.02 3.06 1.6151 -1 1 6 57.15 4.03 1.6116 -4 5 1 57.33 2.45 1.6070 -6 0 2 57.45 3.15 1.6039 5 2 3 57.83 1.01 1.5943 -3 5 3 57.90 1.56 1.5927 -5 4 1 57.93 3.48 1.5920 3 2 5 58.16 2.64 1.5860 0 4 5 58.17 2.46 1.5859 1 5 4 58.62 2.35 1.5748 -5 1 4 59.31 1.30 1.5581 -3 3 5 59.41 8.39 1.5557 -3 6 1 59.64 2.32 1.5502 -1 6 3 59.66 1.25 1.5499 4 3 4 59.83 9.86 1.5458 3 6 1 60.06 1.38 1.5404 1 6 3 61.40 2.23 1.5101 3 3 5 61.41 1.62 1.5098 5 1 4 61.55 2.43 1.5066 1 7 0 61.57 2.19 1.5062 -6 3 1 61.58 1.58 1.5060 0 7 1 61.67 6.44 1.5040 -6 1 3 62.21 4.21 1.4923 0 3 6 62.43 1.13 1.4875 -3 1 6 62.56 3.64 1.4847 -1 3 6 63.06 2.04 1.4742 -4 5 3 63.44 1.00 1.4663 5 2 4 63.62 1.80 1.4625 -5 4 3 64.11 3.59 1.4525 6 1 3 64.33 3.09 1.4482 -4 3 5 64.67 3.65 1.4413 4 5 3 64.86 2.31 1.4375 3 1 6 65.39 1.10 1.4271 1 5 5 65.63 2.73 1.4225 5 4 3 65.87 21.15 1.4179 6 4 0 66.09 2.78 1.4137 6 2 3 66.52 1.30 1.4057 3 6 3 66.60 1.59 1.4041 -4 0 6 66.85 15.06 1.3995 0 4 6 66.98 1.10 1.3971 0 1 7 66.98 4.71 1.3970 -6 3 3 67.03 1.61 1.3962 6 4 1 67.72 1.60 1.3837 -3 3 6 67.78 3.18 1.3826 0 7 3 67.90 3.23 1.3804 -7 2 1 68.10 1.26 1.3769 -3 7 1 68.49 1.85 1.3700 3 7 1 68.98 1.08 1.3614 -2 4 6 69.33 4.04 1.3554 6 3 3 70.05 2.67 1.3433 3 3 6 70.15 3.51 1.3416 -3 7 2 70.53 1.83 1.3353 2 4 6 70.61 1.02 1.3339 5 2 5 70.64 3.62 1.3334 0 8 0 70.78 2.35 1.3311 2 1 7 70.80 3.49 1.3307 7 3 0 70.92 3.64 1.3289 3 7 2 71.38 3.12 1.3214 0 8 1 72.10 1.85 1.3101 0 3 7 72.86 2.35 1.2982 -7 3 2 72.92 2.86 1.2972 -1 5 6 72.95 3.55 1.2968 -7 2 3 73.48 5.34 1.2887 2 8 0 73.99 3.34 1.2811 -3 2 7 74.62 1.03 1.2718 7 3 2 74.65 1.04 1.2714 -2 5 6 74.76 2.14 1.2698 3 1 7 75.59 2.24 1.2580 7 2 3 75.79 1.76 1.2552 2 3 7 76.58 4.43 1.2441 -4 1 7 76.61 2.20 1.2437 3 2 7 76.63 1.51 1.2434 2 8 2 76.71 1.27 1.2424 -4 4 6 76.80 2.26 1.2411 -3 6 5 77.07 5.25 1.2375 -6 5 3 77.76 1.09 1.2282 -3 5 6 78.50 1.40 1.2184 -3 7 4 78.66 2.52 1.2164 3 6 5 79.29 2.83 1.2083 6 5 3 79.97 3.03 1.1997 -6 0 6 79.98 1.14 1.1996 3 7 4 81.78 1.96 1.1777 4 8 0 82.05 1.62 1.1745 6 6 2 84.36 3.62 1.1481 6 0 6 84.37 1.29 1.1480 7 5 2 84.69 1.26 1.1445 -3 7 5 84.96 1.14 1.1415 6 1 6 85.40 1.18 1.1368 -6 3 6 85.50 1.73 1.1357 2 5 7 86.51 1.92 1.1250 3 7 5 87.48 4.20 1.1150 0 9 3 87.78 1.49 1.1120 7 2 5 89.03 2.36 1.0996 -7 1 6 89.60 3.59 1.0941 -6 4 6 89.92 1.80 1.0910 -9 2 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.