Stilbite-Ca Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050012 Cruciani G, Artioli G, Gualtieri A, Stahl K, Hanson J C American Mineralogist 82 (1997) 729-739 Dehydration dynamics of stilbite using synchrotron X-ray powder diffraction Sample: at T = 315 K CELL PARAMETERS: 13.6241 18.2618 17.7852 90.000 90.320 90.000 SPACE GROUP: F2/m ATOM X Y Z OCCUPANCY ISO(B) Si 0.36170 0.30670 0.12550 0.760 1.816 Al 0.36170 0.30670 0.12550 0.240 1.816 Si 0.13700 0.31080 0.12550 0.760 1.816 Al 0.13700 0.31080 0.12550 0.240 1.816 Si -0.05360 0.09010 0.24480 0.760 1.816 Al -0.05360 0.09010 0.24480 0.240 1.816 Si -0.13580 0.31490 0.25000 0.760 1.816 Al -0.13580 0.31490 0.25000 0.240 1.816 Si 0.00000 0.24870 0.00000 0.760 1.816 Al 0.00000 0.24870 0.00000 0.240 1.816 Ca 0.23730 0.00000 0.04330 0.990 7.264 Na 0.47360 0.05630 0.02700 0.220 7.264 O 0.42080 0.30460 0.04490 1.000 2.842 O 0.06080 0.30510 0.05580 1.000 2.842 O -0.12980 0.27200 0.16960 1.000 2.842 O -0.10710 0.11700 0.16830 1.000 2.842 O 0.11700 0.23760 0.17710 1.000 2.842 O 0.10920 0.37920 0.18080 1.000 2.842 O 0.25070 0.31810 0.09850 1.000 2.842 O 0.06360 0.11140 0.25030 1.000 2.842 O -0.07630 0.00000 0.23940 1.000 2.842 O -0.25000 0.34510 0.25000 1.000 2.842 Wa 0.08500 0.08900 0.06000 0.410 8.843 Wa 0.28800 0.13000 0.06000 1.000 8.843 Wa 0.18300 0.00000 0.19000 1.000 8.843 Wa 0.40400 0.00000 0.10900 1.000 8.843 Wa 0.38300 0.50000 0.07500 0.660 8.843 Wa 0.13800 0.50000 0.04600 0.870 8.843 Wa 0.22700 0.00000 -0.09400 0.730 8.843 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 16 +/- 16 MAX. ABS. INTENSITY / VOLUME**2: 4.126510949 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.48 7.23 9.3244 -1 1 1 9.69 100.00 9.1309 0 2 0 9.95 32.31 8.8925 0 0 2 13.90 2.69 6.3705 0 2 2 16.23 5.02 5.4599 2 2 0 16.35 15.14 5.4223 -2 0 2 16.44 2.01 5.3931 2 0 2 16.70 3.70 5.3082 -1 3 1 16.72 5.53 5.3013 1 3 1 16.99 7.15 5.2198 -1 1 3 19.04 48.89 4.6622 -2 2 2 19.11 37.27 4.6436 2 2 2 19.44 4.40 4.5655 0 4 0 19.97 3.60 4.4462 0 0 4 20.74 21.65 4.2831 -3 1 1 20.79 19.28 4.2723 3 1 1 21.88 37.77 4.0615 0 4 2 21.90 37.30 4.0592 -1 3 3 21.95 61.43 4.0500 1 3 3 22.24 14.52 3.9975 0 2 4 23.46 1.61 3.7925 2 4 0 23.84 9.68 3.7328 -2 0 4 23.96 20.31 3.7138 2 0 4 24.99 4.14 3.5629 3 3 1 25.51 6.08 3.4924 -2 4 2 25.56 8.88 3.4846 2 4 2 25.75 1.56 3.4594 1 5 1 25.78 1.85 3.4553 -2 2 4 25.90 2.10 3.4401 2 2 4 26.16 28.76 3.4060 4 0 0 26.32 14.55 3.3865 -1 1 5 26.39 6.11 3.3776 1 1 5 27.96 21.23 3.1912 4 2 0 28.00 18.06 3.1866 -4 0 2 28.01 3.15 3.1853 0 4 4 28.11 14.94 3.1747 4 0 2 28.72 14.32 3.1081 -3 3 3 28.84 6.67 3.0957 3 3 3 29.34 10.61 3.0436 0 6 0 29.44 32.30 3.0335 -1 5 3 29.48 39.25 3.0297 1 5 3 29.69 16.51 3.0086 -4 2 2 29.79 14.24 2.9990 -1 3 5 29.79 1.06 2.9986 4 2 2 29.85 18.42 2.9928 1 3 5 30.15 8.06 2.9642 0 0 6 31.06 5.27 2.8796 0 6 2 31.74 5.25 2.8193 0 2 6 31.86 4.21 2.8088 3 5 1 32.21 28.87 2.7789 2 6 0 32.26 3.92 2.7753 -3 1 5 32.43 1.90 2.7606 3 1 5 32.89 1.74 2.7236 -2 0 6 33.04 12.81 2.7111 -4 0 4 33.22 2.93 2.6966 4 0 4 34.36 1.15 2.6099 -2 2 6 34.41 4.86 2.6065 4 4 2 34.49 7.71 2.6001 2 2 6 34.69 3.17 2.5861 4 2 4 34.92 6.82 2.5692 -3 5 3 35.02 7.66 2.5622 3 5 3 35.20 4.18 2.5497 -3 3 5 35.36 1.61 2.5383 3 3 5 35.40 1.36 2.5357 1 7 1 35.75 4.98 2.5115 0 6 4 36.13 4.89 2.4861 0 4 6 36.34 2.25 2.4722 1 1 7 36.45 1.17 2.4648 -5 3 1 36.51 3.69 2.4613 5 3 1 36.55 2.29 2.4585 -5 1 3 36.71 8.73 2.4483 5 1 3 38.15 4.53 2.3589 -2 6 4 38.23 1.08 2.3541 2 6 4 38.25 1.62 2.3529 -1 7 3 38.28 2.40 2.3511 1 7 3 38.49 2.18 2.3390 -2 4 6 38.78 2.84 2.3218 4 4 4 39.01 2.23 2.3087 1 3 7 39.69 4.30 2.2706 6 0 0 40.20 1.06 2.2433 3 7 1 40.22 1.34 2.2422 -4 0 6 40.52 2.44 2.2261 -3 5 5 40.58 1.74 2.2231 0 0 8 40.67 2.14 2.2185 3 5 5 40.90 2.90 2.2063 -3 1 7 40.96 2.45 2.2035 6 2 0 41.10 1.91 2.1960 3 1 7 41.69 1.58 2.1665 5 5 1 41.82 2.46 2.1600 0 2 8 42.57 6.28 2.1235 0 6 6 42.99 2.31 2.1039 -2 8 2 43.03 1.02 2.1022 2 8 2 43.51 1.12 2.0801 -1 7 5 43.88 2.41 2.0631 -1 5 7 43.90 5.49 2.0622 -2 2 8 43.95 2.45 2.0603 1 5 7 44.26 1.40 2.0464 5 5 3 44.34 6.11 2.0431 -5 3 5 44.56 7.94 2.0333 5 3 5 44.57 1.40 2.0331 6 4 0 44.62 1.73 2.0307 0 8 4 44.65 1.03 2.0296 -2 6 6 45.26 3.23 2.0036 4 4 6 45.83 2.05 1.9798 6 4 2 47.84 1.21 1.9014 -1 9 3 47.86 1.31 1.9005 1 9 3 47.98 1.91 1.8962 4 8 0 48.09 2.06 1.8921 3 5 7 48.56 1.74 1.8746 -5 7 1 48.84 2.35 1.8649 -5 5 5 49.15 1.28 1.8538 -5 1 7 49.94 8.72 1.8262 0 10 0 50.46 3.57 1.8086 0 8 6 50.79 1.77 1.7977 6 0 6 51.19 1.69 1.7846 -6 6 2 51.28 2.49 1.7815 6 6 2 51.38 3.50 1.7785 0 0 10 51.55 1.48 1.7727 5 3 7 51.58 2.08 1.7720 -7 3 3 52.79 1.74 1.7340 2 6 8 52.90 2.06 1.7307 -2 10 2 53.80 1.64 1.7040 -7 1 5 53.83 2.31 1.7030 8 0 0 54.22 1.61 1.6918 -3 7 7 54.38 1.29 1.6872 3 7 7 54.84 3.92 1.6741 8 2 0 55.06 2.95 1.6678 -5 7 5 55.25 2.11 1.6625 5 7 5 55.45 1.05 1.6572 0 4 10 55.82 2.80 1.6469 -8 2 2 55.95 1.46 1.6436 8 2 2 57.24 2.89 1.6094 4 10 0 57.78 1.24 1.5956 8 4 0 57.90 4.17 1.5926 0 8 8 57.96 4.32 1.5911 -4 6 8 58.08 1.37 1.5880 -1 11 3 58.11 1.15 1.5875 1 11 3 58.11 1.83 1.5874 8 0 4 58.20 2.84 1.5852 4 6 8 58.29 1.44 1.5830 6 8 2 58.70 1.19 1.5729 4 0 10 58.85 1.68 1.5693 -6 2 8 59.20 1.45 1.5608 6 2 8 59.36 1.12 1.5570 -4 2 10 59.45 2.82 1.5548 0 10 6 59.51 2.44 1.5534 -1 3 11 59.56 2.18 1.5522 -2 8 8 59.59 1.85 1.5515 1 3 11 59.65 1.02 1.5501 4 2 10 61.18 1.18 1.5148 2 10 6 62.49 1.01 1.4862 8 6 0 63.31 1.14 1.4690 1 5 11 63.52 1.13 1.4647 8 6 2 64.49 3.51 1.4449 -4 8 8 64.71 2.89 1.4405 4 8 8 65.36 1.34 1.4277 -9 3 3 67.94 1.21 1.3798 -5 11 3 68.04 1.35 1.3780 5 11 3 69.09 1.54 1.3595 9 5 3 70.19 1.96 1.3409 -8 2 8 70.62 1.13 1.3338 8 2 8 70.70 1.30 1.3325 0 6 12 70.78 1.54 1.3311 -8 6 6 71.10 1.97 1.3259 8 6 6 71.58 2.08 1.3183 -5 11 5 71.74 1.49 1.3157 5 11 5 72.40 1.09 1.3053 -4 10 8 72.50 1.77 1.3037 -9 5 5 72.61 1.17 1.3020 4 10 8 72.80 1.56 1.2992 9 5 5 74.41 1.32 1.2749 1 5 13 74.47 1.08 1.2741 0 10 10 74.72 1.04 1.2704 0 0 14 77.27 1.30 1.2347 -3 5 13 77.42 1.10 1.2327 8 6 8 77.52 1.17 1.2313 3 5 13 82.44 1.29 1.1699 10 8 0 82.82 1.26 1.1655 -8 8 8 87.82 1.02 1.1116 0 0 16 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.