Gmelinite-Ca Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070283 Sacerdoti M, Passaglia E, Carnevali R Zeolites 15 (1995) 276-281 Structural refinements of Na-, K-, and Ca-exchanged gmelinites Note: sample 3Ca CELL PARAMETERS: 13.7900 13.7900 9.9332 90.000 90.000 120.000 SPACE GROUP: P6_3/mmc ATOM X Y Z OCCUPANCY ISO(B) Ca 0.33330 0.66670 0.09000 0.530 3.079 Ca 0.10570 0.21100 0.05100 0.120 6.317 Si 0.44280 0.10850 0.08820 0.697 1.058 Al 0.44280 0.10850 0.08820 0.303 1.058 O 0.42500 0.21260 0.04300 1.000 3.237 O 0.85400 0.42680 0.04500 1.000 2.763 O 0.42110 0.07950 0.25000 1.000 2.763 O 0.35470 0.00000 0.00000 1.000 2.527 Wa 0.18100 0.55600 0.25000 0.500 6.317 Wa 0.16230 0.32500 0.25000 0.400 6.317 Wa 0.00000 0.00000 0.04000 0.240 7.896 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: 32.52289065 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.40 100.00 11.9425 1 0 0 11.59 9.05 7.6368 1 0 1 12.84 2.91 6.8950 1 1 0 14.84 3.42 5.9712 2 0 0 17.33 3.08 5.1177 2 0 1 17.86 17.17 4.9666 0 0 2 19.36 2.22 4.5858 1 0 2 19.67 3.52 4.5138 2 1 0 21.63 21.73 4.1094 2 1 1 23.30 1.09 3.8184 2 0 2 25.84 3.79 3.4475 2 2 0 26.92 1.31 3.3123 3 1 0 27.96 12.02 3.1907 1 0 3 29.93 11.85 2.9856 4 0 0 30.88 2.00 2.8957 2 0 3 31.28 7.59 2.8593 4 0 1 31.59 1.57 2.8321 2 2 2 33.57 11.29 2.6698 2 1 3 34.41 3.06 2.6061 4 1 0 39.20 1.01 2.2983 3 3 0 43.38 4.24 2.0858 3 3 2 46.90 1.26 1.9371 5 0 3 50.17 2.09 1.8183 2 1 5 50.78 2.29 1.7978 4 1 4 50.98 1.58 1.7914 6 1 1 53.13 3.03 1.7237 4 4 0 53.21 1.17 1.7215 5 0 4 57.78 1.85 1.5957 6 1 3 66.96 1.63 1.3974 4 1 6 67.47 1.23 1.3882 5 4 3 71.04 1.40 1.3269 9 0 0 73.96 1.11 1.2816 4 0 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.