Amicite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080066 Alberti A, Vezzalini G Acta Crystallographica B35 (1979) 2866-2869 The crystal structure of amicite, a zeolite Locality: basaltic rock at Howenegg in Hegau, southern West Germany CELL PARAMETERS: 10.2100 10.4110 9.8940 90.000 88.504 90.000 SPACE GROUP: I2 ATOM X Y Z OCCUPANCY ISO(B) K 0.30710 -0.00400 0.96920 1.000 2.090 Na 0.43120 0.25590 0.67160 1.000 2.530 Al 0.15460 0.24910 0.15460 1.000 0.430 Al 0.15820 0.00270 0.65120 1.000 0.440 Si 0.15230 -0.01330 0.32610 1.000 0.460 Si 0.15340 0.26150 0.82630 1.000 0.400 O 0.00100 -0.04710 0.30370 1.000 1.210 O -0.00300 0.29560 0.20470 1.000 1.140 O 0.20310 0.14010 0.73540 1.000 0.960 O 0.18100 0.03040 0.47850 1.000 1.180 O 0.17120 0.22640 0.98330 1.000 1.130 O 0.19890 0.10180 0.22630 1.000 1.000 O 0.26200 0.36100 0.21840 1.000 1.090 O 0.75580 0.38120 0.21770 1.000 0.730 Wa 0.34350 0.25070 0.45390 1.000 2.650 Wa 0.47790 0.06820 0.21790 1.000 2.760 Wa 0.00000 0.31910 0.50000 1.000 2.700 Wa 0.50000 0.47290 0.50000 0.530 2.350 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: 4.309645891 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.14 63.71 7.2883 1 1 0 12.34 7.94 7.1706 0 1 1 12.62 1.69 7.0119 -1 0 1 17.03 2.40 5.2055 0 2 0 17.38 55.41 5.1033 2 0 0 17.94 48.67 4.9453 0 0 2 21.06 100.00 4.2179 1 2 1 21.18 5.33 4.1955 2 1 1 21.26 58.50 4.1796 -1 2 1 21.53 1.21 4.1281 1 1 2 21.56 11.68 4.1211 -2 1 1 21.91 6.03 4.0572 -1 1 2 24.43 6.22 3.6442 2 2 0 24.74 1.34 3.5987 2 0 2 24.83 2.41 3.5853 0 2 2 27.14 27.08 3.2856 1 3 0 27.23 1.04 3.2746 0 3 1 27.58 45.59 3.2339 3 1 0 28.40 92.75 3.1430 0 1 3 28.67 1.30 3.1136 -1 0 3 30.19 11.21 2.9602 2 2 2 30.75 1.32 2.9079 -2 2 2 32.36 7.39 2.7669 2 3 1 32.53 40.72 2.7527 3 2 1 32.59 2.47 2.7473 1 3 2 32.71 17.63 2.7379 3 1 2 32.85 13.48 2.7261 -1 3 2 32.92 99.76 2.7209 -3 2 1 33.10 6.93 2.7064 2 1 3 33.15 66.74 2.7022 1 2 3 33.48 29.68 2.6763 -3 1 2 33.54 7.07 2.6721 -1 2 3 33.87 2.27 2.6469 -2 1 3 34.46 45.12 2.6028 0 4 0 36.33 9.86 2.4727 0 0 4 36.72 2.71 2.4476 1 4 1 37.00 1.41 2.4294 3 3 0 37.18 12.27 2.4185 4 1 1 37.63 4.00 2.3902 0 3 3 38.22 5.13 2.3550 1 1 4 38.67 10.45 2.3284 -1 1 4 38.84 1.39 2.3186 2 4 0 39.11 9.45 2.3032 0 4 2 39.32 4.74 2.2912 4 2 0 40.10 6.77 2.2484 2 0 4 40.19 7.50 2.2438 -4 0 2 40.38 1.88 2.2335 0 2 4 41.09 1.90 2.1968 3 3 2 41.41 3.82 2.1805 2 3 3 41.44 1.32 2.1788 3 2 3 41.73 3.78 2.1646 -3 3 2 42.88 13.59 2.1090 2 4 2 43.29 11.06 2.0898 -2 4 2 44.40 1.93 2.0402 1 5 0 44.64 2.22 2.0299 3 4 1 44.67 1.83 2.0286 -2 2 4 44.84 5.57 2.0212 4 3 1 45.12 1.54 2.0094 1 4 3 45.27 4.43 2.0032 5 1 0 45.42 4.79 1.9969 -1 4 3 45.61 2.39 1.9889 -5 0 1 45.63 1.45 1.9882 3 1 4 46.74 3.84 1.9434 0 1 5 46.80 1.48 1.9412 -3 1 4 48.35 1.39 1.8825 -1 5 2 48.56 6.28 1.8747 5 2 1 48.60 3.62 1.8734 5 1 2 49.03 1.67 1.8579 -5 2 1 49.53 1.10 1.8403 -5 1 2 49.91 3.15 1.8273 1 2 5 50.06 15.14 1.8221 4 4 0 50.37 8.69 1.8118 -1 2 5 50.69 6.06 1.8008 -2 1 5 50.74 4.31 1.7993 4 0 4 50.94 3.13 1.7927 0 4 4 51.45 6.46 1.7760 3 5 0 51.92 4.17 1.7611 4 3 3 51.94 14.82 1.7605 0 5 3 52.18 4.16 1.7530 -4 0 4 52.30 9.66 1.7493 3 3 4 52.99 5.07 1.7282 -4 3 3 53.25 6.45 1.7202 4 4 2 53.36 9.23 1.7170 -3 3 4 53.90 11.99 1.7011 6 0 0 53.91 2.82 1.7006 4 2 4 54.39 2.45 1.6868 1 6 1 54.48 4.53 1.6844 -1 6 1 54.58 5.12 1.6814 -2 4 4 55.00 1.59 1.6696 5 3 2 55.19 1.46 1.6643 -3 5 2 55.20 1.16 1.6641 5 2 3 55.77 6.51 1.6484 0 0 6 55.97 1.89 1.6428 2 6 0 56.02 2.55 1.6416 3 2 5 56.08 2.47 1.6400 2 3 5 56.18 2.29 1.6373 0 6 2 56.92 2.90 1.6176 -2 3 5 57.05 5.03 1.6143 1 1 6 57.29 1.39 1.6083 -3 2 5 57.98 1.25 1.5906 5 4 1 58.40 1.37 1.5803 -5 4 1 58.83 2.32 1.5696 -1 5 4 59.00 1.66 1.5655 4 1 5 59.58 1.11 1.5516 -1 4 5 59.73 1.09 1.5483 6 2 2 60.51 4.48 1.5300 3 6 1 60.76 7.89 1.5244 -3 6 1 60.90 2.78 1.5211 1 6 3 61.32 4.97 1.5119 6 1 3 61.66 1.74 1.5042 -6 3 1 62.61 1.32 1.4836 3 1 6 62.75 5.66 1.4807 -6 1 3 62.86 7.26 1.4784 1 3 6 64.03 1.63 1.4541 -3 1 6 64.54 2.28 1.4440 7 1 0 64.71 4.62 1.4406 4 3 5 64.75 2.61 1.4397 -4 5 3 65.08 1.17 1.4332 -3 5 4 65.12 1.07 1.4324 -5 4 3 65.56 10.13 1.4239 6 4 0 66.33 2.25 1.4092 -1 7 2 66.50 2.19 1.4060 3 6 3 67.19 1.95 1.3932 -3 6 3 67.22 10.84 1.3926 0 4 6 68.15 2.54 1.3760 3 3 6 68.28 2.97 1.3737 -6 3 3 68.58 1.61 1.3684 -4 0 6 68.90 1.06 1.3628 3 7 0 69.31 1.38 1.3557 0 7 3 69.51 2.29 1.3524 -3 3 6 69.99 7.48 1.3442 7 3 0 70.16 1.49 1.3414 -2 1 7 70.48 2.18 1.3360 -2 4 6 71.64 1.52 1.3173 3 7 2 71.86 1.79 1.3138 2 7 3 71.89 1.10 1.3133 5 6 1 72.08 2.30 1.3103 -3 7 2 72.19 2.89 1.3086 0 3 7 72.41 1.01 1.3052 7 3 2 72.51 6.35 1.3036 7 2 3 72.59 1.03 1.3024 -6 5 1 72.65 3.90 1.3014 0 8 0 73.32 1.13 1.2911 -1 6 5 73.44 2.24 1.2893 -7 3 2 73.70 2.85 1.2855 1 5 6 74.03 1.32 1.2806 1 8 1 74.05 1.62 1.2802 -7 2 3 74.28 1.54 1.2769 3 2 7 75.37 3.62 1.2610 2 8 0 75.42 1.36 1.2603 -2 3 7 75.65 1.39 1.2572 -5 1 6 75.81 5.00 1.2549 -3 2 7 76.80 4.59 1.2411 4 1 7 77.33 1.19 1.2339 4 4 6 77.39 1.57 1.2331 -7 1 4 77.48 3.40 1.2319 6 5 3 78.00 1.51 1.2251 3 6 5 78.65 2.66 1.2165 3 5 6 78.78 6.15 1.2149 -6 5 3 79.07 1.26 1.2110 -3 6 5 79.68 1.41 1.2034 1 8 3 79.94 1.17 1.2001 -3 5 6 80.78 1.62 1.1897 -5 3 6 80.90 1.35 1.1883 -3 7 4 81.19 1.10 1.1848 6 6 2 82.24 1.54 1.1722 5 7 2 82.55 1.93 1.1686 -6 0 6 83.36 1.58 1.1593 4 8 0 83.85 1.71 1.1538 -2 7 5 85.63 2.09 1.1343 -2 5 7 88.30 1.12 1.1068 6 5 5 88.95 2.69 1.1004 7 1 6 89.18 1.22 1.0981 -9 2 1 89.86 2.04 1.0915 0 9 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.