Chabazite-K Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R061096 Yakubovich O V, Massa W, Gavrilenko P G, Pekov I V Crystallography Reports 50 (2005) 544-553 Crystal structure of chabazite K Locality: Khibiny alkaline massif, Kola Peninsula, Russia Sample: T = 193 K CELL PARAMETERS: 13.7350 13.7350 14.9330 90.000 90.000 120.000 SPACE GROUP: R-3m ATOM X Y Z OCCUPANCY ISO(B) K 0.66667 0.33333 0.06130 0.550 1.500 K 0.66667 0.33333 0.02680 0.116 1.500 Na 0.00000 0.00000 0.09980 0.354 1.500 Na 0.63410 0.31705 0.09390 0.052 1.500 Ca 0.11660 -0.11660 -0.03790 0.140 1.300 Al 0.10485 0.43831 0.06199 0.333 0.600 Si 0.10485 0.43831 0.06199 0.667 0.500 O 0.42743 0.21372 -0.03306 1.000 1.000 O 0.34846 0.00000 0.00000 1.000 1.000 O 0.07040 0.40373 0.16667 1.000 1.000 O 0.56780 0.13559 -0.04210 1.000 1.000 Wa 0.34300 0.17150 0.18800 0.314 1.000 Wa 0.13800 0.00000 0.00000 0.394 1.000 Wa 0.66667 0.33333 0.83333 0.036 1.000 Wa 0.14200 0.07100 0.06300 0.162 1.000 Wa 0.09000 -0.09000 0.16270 0.284 1.000 Wa 0.01860 -0.14220 0.14980 0.328 1.000 Wa 0.33333 0.19650 0.16667 0.188 1.000 Wa 0.00000 0.00000 0.06700 0.072 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 10 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 7.118464440 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.51 47.26 9.3040 1 0 1 12.89 8.02 6.8675 1 1 0 14.00 2.64 6.3239 0 1 2 16.04 25.83 5.5253 0 2 1 17.82 26.27 4.9777 0 0 3 19.08 3.76 4.6520 2 0 2 20.63 74.83 4.3050 2 1 1 22.42 3.43 3.9650 3 0 0 23.09 24.79 3.8515 1 2 2 25.00 33.83 3.5619 1 0 4 25.95 12.98 3.4337 2 2 0 27.69 4.36 3.2214 1 3 1 28.22 10.54 3.1619 0 2 4 28.79 1.31 3.1013 3 0 3 29.60 1.58 3.0176 3 1 2 30.65 100.00 2.9165 4 0 1 30.87 15.05 2.8967 0 1 5 31.14 40.87 2.8721 2 1 4 31.66 3.88 2.8265 2 2 3 32.41 6.26 2.7627 0 4 2 33.58 8.11 2.6690 2 0 5 34.56 15.26 2.5957 4 1 0 35.01 7.22 2.5630 2 3 2 36.09 1.95 2.4888 0 0 6 36.11 24.71 2.4877 1 2 5 38.47 1.34 2.3399 1 1 6 39.14 2.29 2.3015 1 4 3 39.36 3.72 2.2892 3 3 0 42.76 2.50 2.1148 5 1 1 42.92 1.11 2.1073 0 4 5 43.51 11.27 2.0798 3 3 3 44.09 4.32 2.0540 1 5 2 45.00 1.16 2.0146 2 3 5 45.20 1.98 2.0063 0 5 4 45.77 2.01 1.9825 6 0 0 47.16 1.49 1.9273 2 1 7 47.75 1.68 1.9047 5 2 0 48.95 7.58 1.8608 5 0 5 49.42 4.93 1.8441 0 1 8 50.70 5.45 1.8007 1 6 1 50.83 11.24 1.7965 4 1 6 50.83 7.03 1.7965 1 4 6 50.84 1.53 1.7960 4 2 5 51.36 1.81 1.7789 2 5 3 51.87 2.86 1.7627 6 1 2 53.13 2.56 1.7239 1 2 8 53.36 13.44 1.7169 4 4 0 54.34 1.31 1.6884 7 0 1 54.46 2.46 1.6849 3 3 6 55.37 6.07 1.6592 0 0 9 56.09 7.12 1.6395 6 2 1 56.39 3.54 1.6315 1 6 4 58.08 1.39 1.5882 0 5 7 58.37 3.72 1.5810 0 4 8 59.62 1.37 1.5507 0 6 6 59.64 6.14 1.5504 6 1 5 61.17 3.44 1.5151 5 4 1 61.42 1.80 1.5096 5 1 7 61.45 4.40 1.5088 6 2 4 62.81 2.61 1.4795 0 8 1 63.83 1.25 1.4582 8 0 2 64.42 1.05 1.4464 2 7 1 64.54 1.32 1.4439 2 6 5 66.12 2.00 1.4132 4 4 6 66.28 3.31 1.4102 5 4 4 66.93 5.43 1.3980 4 1 9 66.93 1.71 1.3980 1 4 9 67.58 1.00 1.3862 8 1 1 67.82 1.53 1.3819 1 6 7 69.25 2.57 1.3568 4 5 5 70.58 6.70 1.3345 4 0 10 71.37 8.51 1.3217 9 0 0 71.64 2.09 1.3173 3 7 2 72.31 1.07 1.3067 7 2 5 72.46 1.29 1.3044 8 1 4 74.24 2.44 1.2774 9 0 3 74.24 2.89 1.2774 0 9 3 75.11 1.80 1.2648 0 5 10 75.32 2.06 1.2618 1 8 5 75.46 1.65 1.2598 7 3 4 77.25 1.69 1.2349 0 4 11 78.28 3.78 1.2213 3 7 5 78.73 1.12 1.2155 2 3 11 79.74 2.02 1.2025 5 5 6 80.50 7.00 1.1931 4 4 9 83.04 2.02 1.1630 8 0 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.