Analcime Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040128 Cruciani G, Gualtieri A American Mineralogist 84 (1999) 112-119 Dehydration dynamics of analcime by in situ synchrotron powder diffraction Sample at T = 298 K CELL PARAMETERS: 13.7318 13.7318 13.7232 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: I4_1/acd ATOM X Y Z OCCUPANCY ISO(B) Si 0.12430 0.16090 0.41410 0.575 3.000 Al 0.12430 0.16090 0.41410 0.425 3.000 Si 0.16190 0.41190 0.12500 0.900 3.079 Al 0.16190 0.41190 0.12500 0.100 3.079 Na 0.13430 0.00000 0.25000 0.860 6.553 Na 0.00000 0.25000 0.12500 0.230 6.553 O 0.09900 0.37340 0.21880 1.000 1.895 O 0.22190 0.11200 0.36270 1.000 4.343 O 0.35820 0.21790 0.10520 1.000 3.000 Wa 0.11650 0.13350 0.12500 1.000 5.448 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 12 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 10.14170640 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.89 2.21 6.8659 2 0 0 15.81 51.79 5.6054 2 1 1 15.82 31.17 5.6036 1 1 2 18.27 1.80 4.8549 2 2 0 18.28 17.83 4.8534 2 0 2 24.25 1.65 3.6698 3 2 1 24.26 2.90 3.6685 2 1 3 25.95 100.00 3.4330 4 0 0 25.97 36.40 3.4308 0 0 4 30.54 18.94 2.9273 3 3 2 30.54 48.67 2.9269 3 2 3 31.93 6.61 2.8027 4 2 2 33.27 2.89 2.6930 4 3 1 33.28 10.53 2.6924 4 1 3 33.28 4.14 2.6920 3 1 4 35.82 6.43 2.5070 5 2 1 35.84 3.90 2.5058 2 1 5 37.03 2.51 2.4275 4 4 0 37.05 8.75 2.4267 4 0 4 40.50 1.91 2.2276 6 1 1 40.50 3.61 2.2273 5 2 3 40.51 2.45 2.2267 3 2 5 40.52 1.04 2.2263 1 1 6 47.76 5.80 1.9043 6 4 0 47.77 2.40 1.9039 6 0 4 47.78 4.94 1.9034 4 0 6 48.73 1.35 1.8686 7 2 1 48.74 4.93 1.8685 6 3 3 48.75 2.11 1.8679 3 3 6 52.47 1.74 1.7439 6 5 1 52.47 4.96 1.7439 7 3 2 52.48 5.42 1.7438 7 2 3 52.48 1.51 1.7435 6 1 5 52.50 5.62 1.7431 3 2 7 53.38 4.39 1.7165 8 0 0 53.41 1.76 1.7154 0 0 8 54.27 2.76 1.6903 7 4 1 54.28 1.43 1.6900 7 1 4 54.30 1.71 1.6895 4 1 7 55.16 1.01 1.6652 8 0 2 56.92 1.38 1.6178 6 0 6 57.76 2.59 1.5962 8 1 3 57.79 1.90 1.5954 3 1 8 61.94 1.02 1.4982 8 4 2 62.75 1.14 1.4807 9 2 1 65.96 1.01 1.4163 9 3 2 65.98 1.23 1.4159 6 3 7 66.00 1.14 1.4156 3 2 9 68.31 1.19 1.3732 8 6 0 69.08 1.74 1.3596 10 1 1 69.08 1.11 1.3596 7 7 2 69.11 4.39 1.3592 7 2 7 69.13 1.06 1.3588 1 1 10 73.66 1.12 1.2861 8 7 1 73.69 1.65 1.2856 7 1 8 78.17 1.12 1.2227 5 1 10 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.