Gmelinite-K Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R061130 Sacerdoti M, Passaglia E, Carnevali R Zeolites 15 (1995) 276-281 Structural refinements of Na-, K-, and Ca-exchanged gmelinites Note: sample 2K CELL PARAMETERS: 13.7910 13.7910 9.9620 90.000 90.000 120.000 SPACE GROUP: P6_3/mmc ATOM X Y Z OCCUPANCY ISO(B) K 0.33330 0.66670 0.06600 1.000 2.219 K 0.10130 0.20300 0.07700 0.310 10.185 Si 0.43400 0.09990 0.09880 0.693 0.790 Al 0.43400 0.09990 0.09880 0.307 0.790 O 0.42790 0.21390 0.06530 1.000 2.132 O 0.87070 0.43540 0.07260 1.000 1.658 O 0.39490 0.05640 0.25000 1.000 1.895 O 0.34530 0.00000 0.00000 1.000 1.658 Wa 0.16200 0.55000 0.25000 0.500 6.080 Wa 0.17870 0.35700 0.25000 0.340 5.606 Wa 0.16900 0.08470 0.25000 0.400 6.474 Wa 0.13710 0.27400 0.17500 0.200 5.053 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 10 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 7.611897269 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.40 34.39 11.9434 1 0 0 11.57 15.46 7.6501 1 0 1 12.84 20.95 6.8955 1 1 0 17.31 9.21 5.1219 2 0 1 17.81 18.55 4.9810 0 0 2 19.31 7.79 4.5972 1 0 2 19.67 1.03 4.5142 2 1 0 21.61 100.00 4.1117 2 1 1 22.33 2.05 3.9811 3 0 0 24.07 5.73 3.6968 3 0 1 25.84 7.89 3.4478 2 2 0 26.92 7.40 3.3125 3 1 0 27.89 27.22 3.1993 1 0 3 28.39 2.52 3.1433 3 1 1 28.71 4.69 3.1099 3 0 2 29.93 62.40 2.9858 4 0 0 30.81 11.64 2.9022 2 0 3 31.27 48.27 2.8601 4 0 1 32.46 3.72 2.7582 3 1 2 33.50 86.29 2.6749 2 1 3 33.93 5.03 2.6419 3 2 1 34.41 10.86 2.6063 4 1 0 35.19 3.71 2.5500 3 0 3 37.46 1.75 2.4007 3 2 2 38.38 1.66 2.3452 3 1 3 39.00 6.00 2.3092 4 1 2 39.19 16.58 2.2985 3 3 0 40.63 4.02 2.2203 4 0 3 41.00 1.54 2.2013 4 2 1 42.79 1.73 2.1134 3 2 3 42.83 2.45 2.1114 3 0 4 43.14 2.05 2.0970 5 1 1 43.36 9.91 2.0870 3 3 2 46.85 3.68 1.9391 5 0 3 47.54 1.96 1.9125 5 2 0 48.15 1.86 1.8900 2 0 5 48.79 1.06 1.8667 4 2 3 50.04 3.16 1.8228 2 1 5 50.70 13.18 1.8006 4 1 4 50.97 5.76 1.7916 6 1 1 53.13 3.05 1.7239 5 0 4 53.13 15.08 1.7239 4 4 0 54.31 3.61 1.6891 3 3 4 55.33 6.70 1.6603 0 0 6 55.48 1.37 1.6562 6 2 0 56.31 3.96 1.6338 6 2 1 57.73 15.44 1.5969 6 1 3 59.44 1.93 1.5549 6 0 4 60.55 1.25 1.5292 5 4 0 62.18 1.73 1.4929 8 0 0 62.68 3.39 1.4821 6 2 3 62.95 3.05 1.4764 8 0 1 63.25 1.09 1.4702 6 1 4 63.75 1.27 1.4598 5 1 5 64.18 3.69 1.4511 4 0 6 64.55 1.31 1.4437 7 2 1 65.90 1.96 1.4174 4 4 4 66.81 4.98 1.4003 4 1 6 67.42 3.11 1.3890 5 4 3 69.99 1.19 1.3443 6 1 5 70.49 1.40 1.3358 7 2 3 70.75 1.03 1.3317 7 3 1 71.03 5.97 1.3270 9 0 0 72.54 1.17 1.3031 5 4 4 73.51 2.27 1.2884 8 1 3 73.75 5.50 1.2847 4 0 7 73.91 4.29 1.2823 9 0 2 76.47 7.74 1.2456 7 3 3 78.18 1.42 1.2226 5 0 7 80.28 5.69 1.1959 4 4 6 82.33 1.91 1.1712 9 0 4 87.96 1.33 1.1101 8 0 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.