Chabazite-Na Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070440 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: 9.4260 9.4260 9.4260 94.077 94.077 94.077 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: 23.74812149 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.43 100.00 9.3746 1 0 0 12.83 20.39 6.8981 0 -1 1 13.86 2.41 6.3888 1 1 0 15.95 10.64 5.5560 1 -1 1 17.60 13.61 5.0404 1 1 1 18.93 1.82 4.6873 2 0 0 20.53 28.84 4.3270 0 -1 2 22.32 2.99 3.9826 1 -2 1 22.94 2.65 3.8769 2 -1 1 24.70 9.90 3.6042 2 1 1 25.83 4.90 3.4490 0 -2 2 27.93 1.25 3.1944 2 2 0 30.49 3.19 2.9318 2 2 1 30.51 13.93 2.9303 -1 -1 3 30.85 6.53 2.8987 3 1 0 33.20 1.73 2.6982 3 1 1 34.40 4.41 2.6072 2 -3 1 35.73 3.98 2.5128 3 2 0 39.55 1.24 2.2785 -1 -1 4 43.25 1.81 2.0920 4 -2 1 47.53 1.49 1.9132 3 -4 1 48.56 1.85 1.8749 5 0 0 50.36 2.22 1.8120 5 1 0 53.11 2.22 1.7245 0 -4 4 53.98 1.26 1.6986 5 -1 2 54.63 1.05 1.6801 3 3 3 55.82 1.59 1.6470 -1 -3 5 59.20 1.45 1.5607 0 -1 6 66.17 1.02 1.4123 6 2 1 68.77 1.11 1.3651 6 -3 2 69.70 1.28 1.3491 6 2 2 71.00 1.56 1.3275 3 -6 3 79.67 1.09 1.2034 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.