Chabazite-Ca Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070353 Mazzi F, Galli E Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 461-480 The tetrahedral framework of chabazite Locality: Wasson's Bluff, Two Island, Nova Scotia, Canada Note: Occupancies invented to match formula and refinement Sample: C 1a, trigonal refinement CELL PARAMETERS: 9.4240 9.4240 9.4240 94.150 94.150 94.150 SPACE GROUP: R-3m ATOM X Y Z OCCUPANCY ISO(B) Ca 0.22600 0.22600 0.22600 0.150 4.700 Na 0.22600 0.22600 0.22600 0.028 4.700 K 0.22600 0.22600 0.22600 0.022 4.700 Ca 0.58010 0.58010 0.23400 0.020 2.500 Na 0.58010 0.58010 0.23400 0.005 2.500 K 0.58010 0.58010 0.23400 0.005 2.500 Ca 0.40520 0.40520 0.40520 0.160 4.700 Na 0.40520 0.40520 0.40520 0.040 4.700 K 0.40520 0.40520 0.40520 0.030 4.700 Ca 0.50000 0.50000 0.00000 0.090 10.000 Na 0.50000 0.50000 0.00000 0.020 10.000 K 0.50000 0.50000 0.00000 0.010 10.000 Si 0.10459 0.33338 -0.12420 0.737 0.930 Al 0.10459 0.33338 -0.12420 0.263 0.930 O 0.26200 -0.26200 0.00000 1.000 2.600 O 0.15220 -0.15220 0.50000 1.000 2.100 O 0.25250 0.25250 -0.10770 1.000 2.600 O 0.02490 0.02490 0.32380 1.000 2.400 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 22.38615011 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.44 100.00 9.3706 1 0 0 12.83 22.49 6.9007 0 -1 1 13.88 2.62 6.3818 1 1 0 15.95 12.56 5.5566 1 -1 1 17.63 14.69 5.0318 1 1 1 18.94 1.67 4.6853 2 0 0 20.52 32.72 4.3279 0 -1 2 22.31 2.99 3.9841 1 -2 1 22.94 2.45 3.8763 2 -1 1 24.74 10.43 3.5987 2 1 1 25.82 5.16 3.4503 0 -2 2 27.96 1.57 3.1909 2 2 0 30.50 14.51 2.9312 -1 -1 3 30.54 3.32 2.9272 2 2 1 30.87 6.67 2.8962 3 1 0 31.44 1.01 2.8456 3 -1 1 32.22 1.10 2.7783 2 -2 2 33.25 1.74 2.6947 3 1 1 34.38 4.99 2.6082 2 -3 1 35.77 4.02 2.5101 3 2 0 39.54 1.31 2.2789 -1 -1 4 43.25 2.05 2.0920 4 -2 1 47.51 1.67 1.9139 3 -4 1 48.58 1.89 1.8741 5 0 0 48.86 1.00 1.8638 3 3 2 50.40 2.42 1.8108 5 1 0 53.09 2.40 1.7252 0 -4 4 54.02 1.26 1.6976 5 -1 2 54.73 1.07 1.6773 3 3 3 55.80 1.70 1.6476 -1 -3 5 59.21 1.51 1.5604 0 -1 6 60.84 1.00 1.5225 0 -4 5 65.86 1.00 1.4182 6 -3 1 66.25 1.15 1.4107 6 2 1 68.77 1.10 1.3650 6 -3 2 69.80 1.37 1.3474 6 2 2 70.97 1.81 1.3280 3 -6 3 79.74 1.19 1.2026 7 -1 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.