Clinoptilolite-K Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110201 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 _database_code_amcsd 0001549 CELL PARAMETERS: 17.6720 17.9310 7.4102 90.000 116.386 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Si 0.17990 0.16500 0.09550 0.800 1.992 Al 0.17990 0.16500 0.09550 0.200 1.992 Si 0.29380 0.08940 0.50500 0.700 2.008 Al 0.29380 0.08940 0.50500 0.300 2.008 Si 0.28820 0.31310 0.27590 0.830 2.115 Al 0.28820 0.31310 0.27590 0.170 2.115 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 1.970 Al 0.00000 0.20860 0.00000 0.080 1.970 O 0.31420 0.00000 0.55500 1.000 5.141 O 0.24310 0.11770 0.63080 1.000 5.658 O 0.19030 0.14430 -0.10840 1.000 3.438 O 0.23710 0.10110 0.26180 1.000 3.948 O 0.00000 0.31580 0.50000 1.000 6.489 O 0.08150 0.15530 0.05160 1.000 2.874 O 0.37110 0.27450 0.44830 1.000 5.340 O 0.01360 0.26250 0.18830 1.000 4.364 O 0.21270 0.25100 0.17010 1.000 2.842 O 0.11580 0.36710 0.41440 1.000 4.523 Na 0.20800 0.00000 0.78800 0.210 6.466 Ca 0.45600 0.00000 0.72800 0.110 4.960 Ba 0.24420 0.50000 0.06350 0.080 5.212 K 0.24420 0.50000 0.06350 0.430 5.212 K 0.22000 0.00000 0.01000 0.100 3.948 OH 0.08600 0.00000 0.88600 0.270 8.693 OH 0.39600 0.92000 0.07500 0.390 61.091 OH 0.00000 0.50000 0.50000 0.400 13.783 OH 0.10600 0.00000 0.11000 0.040 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 14 +/- 16 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 11.44994093 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.45 2.45 11.8675 1 1 0 9.87 100.00 8.9655 0 2 0 11.18 61.91 7.9155 2 0 0 12.93 8.15 6.8461 -1 1 1 13.05 4.51 6.7825 -2 0 1 13.34 1.86 6.6382 0 0 1 14.93 20.45 5.9338 2 2 0 15.85 3.07 5.5917 1 3 0 16.90 6.23 5.2457 -3 1 1 17.34 29.98 5.1130 1 1 1 17.52 1.01 5.0623 3 1 0 19.08 8.30 4.6515 -1 3 1 20.39 5.06 4.3559 -4 0 1 22.34 21.84 3.9799 1 3 1 22.46 10.71 3.9577 4 0 0 22.48 16.70 3.9558 3 3 0 22.70 8.14 3.9180 -4 2 1 22.80 10.79 3.9007 2 4 0 23.20 1.85 3.8345 2 2 1 23.79 2.32 3.7397 -2 4 1 24.03 1.50 3.7036 -2 0 2 25.04 5.84 3.5568 -3 1 2 25.71 1.57 3.4655 -5 1 1 26.03 14.32 3.4231 -2 2 2 26.28 7.14 3.3912 -4 0 2 26.30 3.54 3.3886 3 1 1 26.86 4.31 3.3191 0 0 2 28.13 12.13 3.1719 -4 2 2 28.57 5.06 3.1240 -4 4 1 28.98 1.10 3.0812 2 4 1 29.05 6.81 3.0738 -1 3 2 29.50 3.07 3.0281 -5 1 2 29.76 5.63 3.0017 -3 5 1 30.02 7.94 2.9762 1 5 1 30.13 5.30 2.9661 3 5 0 30.28 1.51 2.9515 1 1 2 30.39 1.35 2.9413 -6 0 1 31.99 7.04 2.7979 5 3 0 32.02 5.19 2.7947 -6 2 1 32.75 3.46 2.7348 -2 6 1 32.87 5.22 2.7251 0 6 1 33.49 2.48 2.6758 1 3 2 35.10 1.42 2.5565 2 2 2 35.68 1.39 2.5165 -5 5 1 36.79 2.04 2.4431 2 6 1 36.82 1.43 2.4409 5 1 1 37.01 2.38 2.4293 -2 0 3 37.08 2.51 2.4244 4 4 1 37.18 1.25 2.4183 -7 1 2 37.91 1.27 2.3735 5 5 0 41.46 1.41 2.1778 -1 3 3 43.15 1.46 2.0963 -6 6 1 44.03 2.21 2.0568 3 7 1 44.90 1.32 2.0186 -6 4 3 44.93 1.75 2.0177 -7 5 2 46.31 1.51 1.9606 -8 4 1 51.73 1.56 1.7670 -7 7 2 52.19 1.10 1.7528 -3 3 4 52.89 1.28 1.7311 0 10 1 54.09 1.12 1.6954 7 7 0 57.88 1.31 1.5931 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.