Stilbite-Ca Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040174 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: 13.5957 18.1769 17.8400 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: 4.115342669 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.50 7.29 9.3117 -1 1 1 9.73 100.00 9.0885 0 2 0 9.92 32.85 8.9199 0 0 2 13.91 2.71 6.3661 0 2 2 16.28 5.03 5.4435 2 2 0 16.35 15.28 5.4213 -2 0 2 16.44 2.03 5.3922 2 0 2 16.76 3.71 5.2892 -1 3 1 16.78 5.53 5.2824 1 3 1 16.96 7.25 5.2287 -1 1 3 19.06 49.21 4.6559 -2 2 2 19.14 37.51 4.6374 2 2 2 19.53 4.38 4.5442 0 4 0 19.91 3.67 4.4599 0 0 4 20.78 21.76 4.2748 -3 1 1 20.83 19.37 4.2641 3 1 1 21.91 37.59 4.0558 -1 3 3 21.95 37.82 4.0491 0 4 2 21.96 61.91 4.0467 1 3 3 22.20 14.73 4.0038 0 2 4 23.55 1.61 3.7778 2 4 0 23.80 9.82 3.7386 -2 0 4 23.92 20.60 3.7195 2 0 4 25.06 4.15 3.5531 3 3 1 25.58 6.09 3.4826 -2 4 2 25.64 8.90 3.4748 2 4 2 25.77 1.87 3.4575 -2 2 4 25.86 1.55 3.4449 1 5 1 25.88 2.13 3.4424 2 2 4 26.22 28.86 3.3989 4 0 0 26.25 14.82 3.3950 -1 1 5 26.32 6.22 3.3860 1 1 5 28.03 21.28 3.1835 4 2 0 28.03 3.18 3.1830 0 4 4 28.04 18.16 3.1820 -4 0 2 28.15 15.03 3.1702 4 0 2 28.76 14.40 3.1039 -3 3 3 28.88 6.71 3.0916 3 3 3 29.48 10.54 3.0295 0 6 0 29.52 32.35 3.0259 -1 5 3 29.56 39.32 3.0221 1 5 3 29.75 16.58 3.0033 -4 2 2 29.76 14.43 3.0019 -1 3 5 29.83 18.67 2.9957 1 3 5 29.85 1.07 2.9933 4 2 2 30.05 8.23 2.9733 0 0 6 31.18 5.25 2.8686 0 6 2 31.66 5.34 2.8259 0 2 6 31.97 4.20 2.7990 3 5 1 32.22 3.98 2.7780 -3 1 5 32.35 28.72 2.7671 2 6 0 32.40 1.92 2.7633 3 1 5 32.81 1.78 2.7297 -2 0 6 33.05 12.94 2.7106 -4 0 4 33.23 2.95 2.6961 4 0 4 34.30 1.17 2.6143 -2 2 6 34.43 7.84 2.6045 2 2 6 34.50 4.86 2.6000 4 4 2 34.71 3.20 2.5847 4 2 4 35.01 6.84 2.5631 -3 5 3 35.11 7.68 2.5561 3 5 3 35.19 4.23 2.5499 -3 3 5 35.36 1.63 2.5386 3 3 5 35.56 1.35 2.5245 1 7 1 35.83 4.99 2.5060 0 6 4 36.10 4.95 2.4880 0 4 6 36.24 2.30 2.4790 1 1 7 36.54 1.17 2.4588 -5 3 1 36.60 3.68 2.4554 5 3 1 36.60 2.30 2.4554 -5 1 3 36.76 8.77 2.4452 5 1 3 38.24 4.53 2.3537 -2 6 4 38.32 1.08 2.3489 2 6 4 38.39 1.61 2.3450 -1 7 3 38.42 2.39 2.3432 1 7 3 38.47 2.21 2.3400 -2 4 6 38.84 2.86 2.3187 4 4 4 38.94 2.27 2.3129 1 3 7 39.78 4.30 2.2659 6 0 0 40.18 1.36 2.2441 -4 0 6 40.36 1.05 2.2345 3 7 1 40.45 1.77 2.2300 0 0 8 40.57 2.45 2.2238 -3 5 5 40.71 2.15 2.2162 3 5 5 40.83 2.95 2.2102 -3 1 7 41.03 1.94 2.1998 3 1 7 41.05 2.45 2.1986 6 2 0 41.70 2.50 2.1657 0 2 8 41.82 1.57 2.1602 5 5 1 42.61 6.32 2.1220 0 6 6 43.17 2.29 2.0955 -2 8 2 43.21 1.01 2.0938 2 8 2 43.60 1.12 2.0760 -1 7 5 43.80 5.61 2.0668 -2 2 8 43.86 2.44 2.0641 -1 5 7 43.93 2.48 2.0613 1 5 7 44.37 1.41 2.0417 5 5 3 44.37 6.16 2.0417 -5 3 5 44.59 8.00 2.0320 5 3 5 44.69 1.03 2.0279 -2 6 6 44.69 1.40 2.0278 6 4 0 44.77 1.73 2.0245 0 8 4 45.27 3.26 2.0032 4 4 6 45.95 2.05 1.9752 6 4 2 48.03 1.20 1.8942 -1 9 3 48.06 1.31 1.8933 1 9 3 48.08 2.08 1.8922 3 5 7 48.17 1.91 1.8889 4 8 0 48.74 1.73 1.8684 -5 7 1 48.91 2.36 1.8623 -5 5 5 49.11 1.30 1.8549 -5 1 7 50.19 8.62 1.8177 0 10 0 50.56 3.58 1.8053 0 8 6 50.80 1.79 1.7974 6 0 6 51.21 3.59 1.7840 0 0 10 51.34 1.69 1.7797 -6 6 2 51.44 2.49 1.7765 6 6 2 51.54 1.50 1.7731 5 3 7 51.68 2.08 1.7687 -7 3 3 52.78 1.76 1.7344 2 6 8 53.14 2.04 1.7234 -2 10 2 53.85 1.65 1.7024 -7 1 5 53.95 2.32 1.6994 8 0 0 54.27 1.62 1.6903 -3 7 7 54.43 1.30 1.6857 3 7 7 54.97 3.92 1.6705 8 2 0 55.18 2.95 1.6644 -5 7 5 55.32 1.07 1.6606 0 4 10 55.37 2.11 1.6592 5 7 5 55.95 2.80 1.6436 -8 2 2 56.07 1.46 1.6403 8 2 2 57.50 2.87 1.6029 4 10 0 57.94 1.23 1.5918 8 4 0 57.95 4.20 1.5915 0 8 8 57.97 4.36 1.5908 -4 6 8 58.20 1.84 1.5851 8 0 4 58.21 2.86 1.5849 4 6 8 58.34 1.35 1.5816 -1 11 3 58.37 1.14 1.5810 1 11 3 58.49 1.44 1.5780 6 8 2 58.57 1.22 1.5760 4 0 10 58.82 1.70 1.5699 -6 2 8 59.17 1.46 1.5614 6 2 8 59.24 1.14 1.5598 -4 2 10 59.34 2.49 1.5573 -1 3 11 59.42 1.90 1.5554 1 3 11 59.53 1.04 1.5528 4 2 10 59.61 2.19 1.5510 -2 8 8 59.62 2.81 1.5508 0 10 6 61.35 1.18 1.5110 2 10 6 62.68 1.00 1.4822 8 6 0 63.18 1.16 1.4716 1 5 11 63.70 1.13 1.4610 8 6 2 64.56 3.53 1.4435 -4 8 8 64.78 2.90 1.4391 4 8 8 65.51 1.35 1.4249 -9 3 3 68.21 1.20 1.3748 -5 11 3 68.32 1.34 1.3730 5 11 3 69.26 1.54 1.3565 9 5 3 70.21 1.97 1.3405 -8 2 8 70.57 1.32 1.3346 0 6 12 70.64 1.14 1.3335 8 2 8 70.91 1.55 1.3291 -8 6 6 71.23 1.97 1.3239 8 6 6 71.82 2.07 1.3143 -5 11 5 71.99 1.49 1.3117 5 11 5 72.54 1.10 1.3032 -4 10 8 72.65 1.78 1.3015 -9 5 5 72.75 1.17 1.2999 4 10 8 72.94 1.56 1.2969 9 5 5 74.23 1.35 1.2776 1 5 13 74.46 1.07 1.2743 0 0 14 74.53 1.09 1.2732 0 10 10 77.11 1.32 1.2369 -3 5 13 77.36 1.19 1.2336 3 5 13 77.50 1.11 1.2316 8 6 8 82.72 1.29 1.1666 10 8 0 82.95 1.27 1.1640 -8 8 8 87.48 1.04 1.1150 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.