Gmelinite-Na Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110191 Sacerdoti M, Passaglia E, Carnevali R Zeolites 15 (1995) 276-281 Structural refinements of Na-, K-, and Ca-exchanged gmelinites Note: sample 1Na _database_code_amcsd 0015871 CELL PARAMETERS: 13.7770 13.7770 10.0760 90.000 90.000 120.000 SPACE GROUP: P6_3/mmc ATOM X Y Z OCCUPANCY ISO(B) Na 0.33330 0.66670 0.07270 1.000 3.237 Na 0.12040 0.24100 0.07100 0.340 6.790 Si 0.44120 0.10580 0.09420 0.679 0.892 Al 0.44120 0.10580 0.09420 0.321 0.892 O 0.41710 0.20860 0.05980 1.000 2.290 O 0.85050 0.42530 0.06070 1.000 1.974 O 0.41100 0.06580 0.25000 1.000 2.132 O 0.35570 0.00000 0.00000 1.000 2.132 Wa 0.19650 0.54900 0.25000 0.500 4.343 Wa 0.16970 0.33900 0.25000 0.680 6.948 Wa 0.16300 0.08150 0.11700 0.360 5.448 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 10 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 10.23697261 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.41 100.00 11.9312 1 0 0 11.49 12.70 7.6981 1 0 1 12.85 26.85 6.8885 1 1 0 17.27 3.00 5.1334 2 0 1 17.60 18.84 5.0380 0 0 2 19.12 1.30 4.6412 1 0 2 19.69 10.08 4.5096 2 1 0 21.59 70.99 4.1161 2 1 1 25.87 3.39 3.4443 2 2 0 26.94 1.02 3.3091 3 1 0 27.59 33.83 3.2330 1 0 3 29.96 39.75 2.9828 4 0 0 30.54 11.04 2.9267 2 0 3 31.27 40.55 2.8601 4 0 1 31.46 2.80 2.8433 2 2 2 32.72 2.89 2.7372 3 2 0 33.26 28.87 2.6937 2 1 3 33.94 1.94 2.6415 3 2 1 34.45 5.95 2.6036 4 1 0 38.94 2.42 2.3130 4 1 2 39.24 1.42 2.2962 3 3 0 42.48 1.45 2.1281 3 0 4 43.30 9.71 2.0894 3 3 2 44.00 5.62 2.0577 4 1 3 46.69 1.91 1.9453 5 0 3 47.60 3.32 1.9105 5 2 0 48.64 2.62 1.8721 4 2 3 49.54 5.13 1.8399 2 1 5 50.41 8.15 1.8104 4 1 4 51.01 4.99 1.7905 6 1 1 52.85 3.80 1.7324 5 0 4 53.19 7.77 1.7221 4 4 0 54.04 1.15 1.6970 3 3 4 54.65 5.26 1.6793 0 0 6 55.54 1.29 1.6546 6 2 0 56.35 1.14 1.6327 6 2 1 57.62 3.65 1.5998 6 1 3 58.74 1.06 1.5720 6 2 2 60.62 1.59 1.5276 5 4 0 61.38 1.17 1.5104 5 4 1 62.58 3.41 1.4842 6 2 3 63.01 1.36 1.4753 8 0 1 63.58 2.65 1.4634 4 0 6 64.61 1.05 1.4426 7 2 1 66.22 3.85 1.4112 4 1 6 67.34 4.53 1.3906 5 4 3 69.62 1.13 1.3505 6 1 5 70.81 1.19 1.3306 7 3 1 71.12 3.65 1.3257 9 0 0 72.98 4.18 1.2964 4 0 7 73.44 1.39 1.2894 8 1 3 73.93 1.51 1.2820 9 0 2 76.41 2.23 1.2465 7 3 3 79.76 2.97 1.2023 4 4 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.