Clinoptilolite-K Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R061098 Armbruster T American Mineralogist 78 (1993) 260-264 Dehydration mechanism of clinoptilolite and heulandite: Single-crystal X-ray study of Na-poor, Ca-, K-, Mg-rich clinoptilolite at 100 K Sample Dehyd 2 Data obtained from the ICSD CELL PARAMETERS: 17.6280 17.7640 7.4000 90.000 116.280 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Si 0.17990 0.16500 0.09550 0.800 1.991 Al 0.17990 0.16500 0.09550 0.200 1.991 Si 0.29380 0.08940 0.50500 0.700 2.007 Al 0.29380 0.08940 0.50500 0.300 2.007 Si 0.28820 0.31310 0.27590 0.830 2.114 Al 0.28820 0.31310 0.27590 0.170 2.114 Si 0.06570 0.29110 0.41580 0.840 2.133 Al 0.06570 0.29110 0.41580 0.160 2.133 Si 0.00000 0.20860 0.00000 0.920 1.969 Al 0.00000 0.20860 0.00000 0.080 1.969 O 0.31420 0.00000 0.55500 1.000 5.134 O 0.24310 0.11770 0.63080 1.000 5.659 O 0.19030 0.14430 -0.10840 1.000 3.437 O 0.23710 0.10110 0.26180 1.000 3.948 O 0.00000 0.31580 0.50000 1.000 6.492 O 0.08150 0.15530 0.05160 1.000 2.872 O 0.37110 0.27450 0.44830 1.000 5.333 O 0.01360 0.26250 0.18830 1.000 4.360 O 0.21270 0.25100 0.17010 1.000 2.841 O 0.11580 0.36710 0.41440 1.000 4.519 Na 0.20800 0.00000 0.78800 0.210 6.466 Ca 0.45600 0.00000 0.72800 0.110 4.954 Ba 0.24420 0.50000 0.06350 0.080 5.208 K 0.24420 0.50000 0.06350 0.430 5.208 K 0.22000 0.00000 0.01000 0.100 3.948 OH 0.08600 0.00000 0.88600 0.270 8.679 OH 0.39600 0.92000 0.07500 0.390 61.013 OH 0.00000 0.50000 0.50000 0.400 13.782 OH 0.10600 0.00000 0.11000 0.040 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 14 +/- 16 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 11.49757053 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.49 2.47 11.8083 1 1 0 9.96 100.00 8.8820 0 2 0 11.20 62.97 7.9030 2 0 0 12.96 8.27 6.8291 -1 1 1 13.08 4.58 6.7669 -2 0 1 13.34 1.90 6.6351 0 0 1 15.01 20.61 5.9042 2 2 0 15.98 3.06 5.5450 1 3 0 16.96 6.31 5.2287 -3 1 1 17.36 30.52 5.1078 1 1 1 17.56 1.03 5.0512 3 1 0 19.20 8.34 4.6228 -1 3 1 20.44 5.13 4.3444 -4 0 1 22.44 22.02 3.9627 1 3 1 22.50 10.88 3.9515 4 0 0 22.59 16.80 3.9361 3 3 0 22.79 8.21 3.9026 -4 2 1 22.97 10.78 3.8716 2 4 0 23.24 1.88 3.8267 2 2 1 23.97 2.32 3.7128 -2 4 1 24.06 1.53 3.6988 -2 0 2 25.09 5.92 3.5491 -3 1 2 25.78 1.59 3.4558 -5 1 1 26.10 14.50 3.4145 -2 2 2 26.32 3.60 3.3857 3 1 1 26.34 7.24 3.3835 -4 0 2 26.87 4.39 3.3176 0 0 2 28.22 12.26 3.1618 -4 2 2 28.75 5.07 3.1055 -4 4 1 29.12 1.11 3.0669 2 4 1 29.14 6.88 3.0643 -1 3 2 29.58 3.10 3.0198 -5 1 2 29.99 5.61 2.9797 -3 5 1 30.23 7.93 2.9568 1 5 1 30.30 1.54 2.9499 1 1 2 30.34 5.29 2.9457 3 5 0 30.47 1.37 2.9342 -6 0 1 32.10 7.11 2.7887 5 3 0 32.13 5.24 2.7861 -6 2 1 33.02 3.44 2.7124 -2 6 1 33.13 5.19 2.7037 0 6 1 33.56 2.51 2.6701 1 3 2 35.14 1.44 2.5539 2 2 2 35.90 1.39 2.5016 -5 5 1 36.86 1.45 2.4385 5 1 1 37.03 2.03 2.4275 2 6 1 37.04 2.42 2.4269 -2 0 3 37.21 2.53 2.4166 4 4 1 37.29 1.26 2.4116 -7 1 2 38.10 1.29 2.3617 5 5 0 41.54 1.43 2.1738 -1 3 3 43.42 1.45 2.0841 -6 6 1 44.32 2.20 2.0440 3 7 1 45.08 1.32 2.0111 -6 4 3 45.15 1.76 2.0080 -7 5 2 46.49 1.51 1.9535 -8 4 1 52.06 1.55 1.7567 -7 7 2 52.29 1.12 1.7497 -3 3 4 53.39 1.26 1.7160 0 10 1 54.39 1.12 1.6869 7 7 0 58.02 1.33 1.5898 3 5 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.