Chabazite-K Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120032 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 _database_code_amcsd 0012392 CELL PARAMETERS: 13.8110 13.8110 15.0510 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: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 10 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 6.972494855 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.44 47.15 9.3640 1 0 1 12.82 7.99 6.9055 1 1 0 13.90 2.64 6.3696 0 1 2 15.95 25.76 5.5577 0 2 1 17.68 26.36 5.0170 0 0 3 18.95 3.76 4.6820 2 0 2 20.51 74.70 4.3296 2 1 1 22.30 3.42 3.9869 3 0 0 22.95 24.79 3.8752 1 2 2 24.81 33.99 3.5893 1 0 4 25.80 12.97 3.4527 2 2 0 27.53 4.35 3.2395 1 3 1 28.02 10.58 3.1848 0 2 4 28.60 1.31 3.1213 3 0 3 29.43 1.58 3.0355 3 1 2 30.48 100.00 2.9329 4 0 1 30.63 15.14 2.9192 0 1 5 30.92 41.05 2.8920 2 1 4 31.45 3.89 2.8443 2 2 3 32.21 6.27 2.7788 0 4 2 33.32 8.15 2.6888 2 0 5 34.36 15.24 2.6100 4 1 0 34.80 7.24 2.5779 2 3 2 35.80 1.98 2.5085 0 0 6 35.84 24.85 2.5056 1 2 5 38.17 1.36 2.3578 1 1 6 38.90 2.30 2.3154 1 4 3 39.13 3.75 2.3018 3 3 0 42.51 2.51 2.1266 5 1 1 42.62 1.14 2.1214 0 4 5 43.24 11.36 2.0921 3 3 3 43.83 4.35 2.0657 1 5 2 44.69 1.17 2.0279 2 3 5 44.90 1.97 2.0187 0 5 4 45.50 2.03 1.9934 6 0 0 46.79 1.52 1.9417 2 1 7 47.47 1.68 1.9152 5 2 0 48.62 7.63 1.8728 5 0 5 49.01 5.00 1.8585 0 1 8 50.40 5.47 1.8107 1 6 1 50.46 11.35 1.8086 4 1 6 50.46 7.08 1.8086 1 4 6 50.49 1.54 1.8075 4 2 5 51.04 1.82 1.7893 2 5 3 51.56 2.87 1.7727 6 1 2 52.70 2.59 1.7370 1 2 8 53.05 13.50 1.7264 4 4 0 54.01 1.31 1.6978 7 0 1 54.07 2.48 1.6960 3 3 6 54.90 6.16 1.6723 0 0 9 55.76 7.17 1.6487 6 2 1 56.03 3.56 1.6413 1 6 4 57.64 1.40 1.5991 0 5 7 57.91 3.76 1.5924 0 4 8 59.20 1.39 1.5607 0 6 6 59.23 6.19 1.5600 6 1 5 60.80 3.45 1.5235 5 4 1 60.97 1.83 1.5197 5 1 7 61.05 4.43 1.5177 6 2 4 62.42 2.62 1.4878 0 8 1 63.43 1.26 1.4664 8 0 2 64.02 1.05 1.4544 2 7 1 64.10 1.32 1.4527 2 6 5 65.65 2.01 1.4221 4 4 6 65.84 3.32 1.4184 5 4 4 66.39 5.50 1.4081 4 1 9 66.39 1.72 1.4081 1 4 9 67.16 1.01 1.3939 8 1 1 67.32 1.55 1.3909 1 6 7 68.78 2.57 1.3649 4 5 5 69.98 6.79 1.3444 4 0 10 70.91 8.56 1.3290 9 0 0 71.18 2.11 1.3247 3 7 2 71.81 1.08 1.3145 7 2 5 71.97 1.29 1.3120 8 1 4 73.75 2.91 1.2847 0 9 3 73.75 2.46 1.2847 9 0 3 74.48 1.82 1.2739 0 5 10 74.79 2.07 1.2693 1 8 5 74.95 1.66 1.2671 7 3 4 76.58 1.71 1.2442 0 4 11 77.74 3.81 1.2285 3 7 5 78.04 1.14 1.2245 2 3 11 79.17 2.04 1.2099 5 5 6 79.85 7.07 1.2012 4 4 9 82.39 2.04 1.1705 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.