Chabazite-Na Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R061095 Mazzi F, Galli E Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 461-480 The tetrahedral framework of chabazite Locality: Richmond, Melbourne, Victoria, Australia Note: Occupancies invented to match formula and refinement Sample: C 4a, trigonal refinement CELL PARAMETERS: 9.4200 9.4200 9.4200 94.270 94.270 94.270 SPACE GROUP: R-3m ATOM X Y Z OCCUPANCY ISO(B) Na 0.20890 0.20890 0.20890 0.150 3.900 Ca 0.20890 0.20890 0.20890 0.110 3.900 K 0.20890 0.20890 0.20890 0.040 3.900 Na 0.57670 0.57670 0.21320 0.015 4.100 Ca 0.57670 0.57670 0.21320 0.011 4.100 K 0.57670 0.57670 0.21320 0.014 4.100 Na 0.40300 0.40300 0.40300 0.120 7.900 Ca 0.40300 0.40300 0.40300 0.080 7.900 K 0.40300 0.40300 0.40300 0.030 7.900 Na 0.50000 0.50000 0.00000 0.070 10.100 Ca 0.50000 0.50000 0.00000 0.045 10.100 K 0.50000 0.50000 0.00000 0.015 10.100 Si 0.10338 0.33257 -0.12461 0.662 0.950 Al 0.10338 0.33257 -0.12461 0.338 0.950 O 0.26500 -0.26500 0.00000 1.000 2.700 O 0.15040 -0.15040 0.50000 1.000 2.300 O 0.25220 0.25220 -0.10820 1.000 2.500 O 0.02320 0.02320 0.31720 1.000 2.500 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 23.81529650 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.45 100.00 9.3634 1 0 0 12.82 20.49 6.9045 0 -1 1 13.90 2.40 6.3697 1 1 0 15.95 10.67 5.5570 1 -1 1 17.68 13.49 5.0174 1 1 1 18.96 1.82 4.6817 2 0 0 20.52 28.95 4.3291 0 -1 2 22.30 3.00 3.9863 1 -2 1 22.95 2.65 3.8749 2 -1 1 24.80 9.81 3.5895 2 1 1 25.81 4.92 3.4522 0 -2 2 28.02 1.25 3.1848 2 2 0 30.48 14.00 2.9324 -1 -1 3 30.62 3.15 2.9194 2 2 1 30.92 6.50 2.8920 3 1 0 33.32 1.71 2.6889 3 1 1 34.36 4.43 2.6096 2 -3 1 35.84 3.95 2.5056 3 2 0 39.54 1.25 2.2794 -1 -1 4 43.25 1.81 2.0919 4 -2 1 47.48 1.50 1.9150 3 -4 1 48.62 1.85 1.8727 5 0 0 50.46 2.21 1.8085 5 1 0 53.05 2.23 1.7261 0 -4 4 54.07 1.26 1.6959 5 -1 2 54.90 1.03 1.6725 3 3 3 55.77 1.60 1.6484 -1 -3 5 59.24 1.45 1.5598 0 -1 6 66.39 1.01 1.4081 6 2 1 68.79 1.11 1.3648 6 -3 2 69.98 1.27 1.3444 6 2 2 70.93 1.57 1.3288 3 -6 3 79.86 1.08 1.2011 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.