Laumontite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040020 Fridriksson T, Bish D L, Bird D K American Mineralogist 88 (2003) 277-287 Hydrogen-bonded water in laumontite I: X-ray powder diffraction study of water site occupancy and structural changes in laumontite during room-temperature isothermal hydration/dehydration Sample: P = 16.4 mbar PH2O CELL PARAMETERS: 14.7472 13.0660 7.5574 90.000 112.040 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Si 0.23817 0.38214 0.15752 1.000 0.371 Si 0.08328 0.38332 0.32681 1.000 0.300 Al 0.12850 0.31001 0.73388 1.000 0.363 O 0.26062 0.50000 0.22720 1.000 0.608 O 0.20980 0.37876 0.92910 1.000 0.608 O 0.14738 0.38453 0.55440 1.000 0.608 O 0.14923 0.34054 0.21330 1.000 0.608 O 0.33694 0.31729 0.27000 1.000 0.608 O 0.05190 0.50000 0.26210 1.000 0.608 O 0.00863 0.30915 0.72010 1.000 0.608 Ca 0.27194 0.50000 0.75867 1.000 0.995 Wa 0.02500 0.17000 0.00000 0.011 3.703 Wa 0.41577 0.46147 0.05730 0.500 3.703 Wa 0.50000 0.43509 0.50000 0.500 4.398 Wa 0.11622 0.11218 0.30000 1.000 9.276 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 11 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 5.387198950 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.36 100.00 9.4452 1 1 0 12.95 61.26 6.8347 2 0 0 13.55 4.90 6.5330 0 2 0 13.65 2.49 6.4888 -1 1 1 14.31 17.25 6.1886 -2 0 1 17.61 16.32 5.0363 1 1 1 18.57 2.53 4.7777 0 2 1 18.79 12.21 4.7226 2 2 0 19.76 31.09 4.4928 -2 2 1 20.03 2.52 4.4329 -3 1 1 20.64 2.25 4.3024 3 1 0 21.30 31.97 4.1717 2 0 1 21.41 68.04 4.1498 1 3 0 23.64 8.81 3.7633 -1 3 1 24.32 36.24 3.6599 -4 0 1 25.33 20.90 3.5160 2 2 1 25.43 98.40 3.5025 0 0 2 26.07 1.87 3.4174 4 0 0 26.18 10.35 3.4043 1 3 1 26.52 29.23 3.3612 -3 1 2 27.30 32.58 3.2665 0 4 0 27.49 1.79 3.2444 -2 2 2 27.89 25.60 3.1985 -3 3 1 27.92 1.08 3.1958 3 1 1 28.35 10.36 3.1484 3 3 0 28.85 3.70 3.0943 -4 0 2 28.92 3.43 3.0869 0 2 2 29.41 18.92 3.0373 1 1 2 29.50 17.57 3.0281 4 2 0 30.33 2.77 2.9472 2 4 0 31.09 29.40 2.8767 -5 1 1 32.00 20.86 2.7965 -4 2 2 32.82 2.88 2.7290 2 0 2 33.87 2.60 2.6464 -5 1 2 34.11 3.95 2.6282 3 3 1 34.89 24.51 2.5719 2 4 1 35.37 5.33 2.5379 1 3 2 35.65 12.59 2.5181 2 2 2 35.66 3.43 2.5175 -2 0 3 36.42 2.81 2.4668 -1 5 1 36.53 8.78 2.4597 -2 4 2 36.71 3.34 2.4478 -3 1 3 36.81 2.20 2.4419 -5 3 1 36.88 24.01 2.4370 -4 4 1 37.63 5.35 2.3906 -4 0 3 38.11 6.99 2.3613 4 4 0 38.18 3.43 2.3570 1 5 1 38.32 6.34 2.3491 -2 2 3 38.46 1.64 2.3404 3 1 2 39.56 1.78 2.2782 6 0 0 39.76 6.41 2.2669 3 5 0 40.14 1.30 2.2464 -4 4 2 40.17 1.12 2.2450 -4 2 3 40.71 12.22 2.2165 -6 2 2 41.47 5.86 2.1777 0 6 0 41.76 9.50 2.1629 -3 3 3 42.00 13.16 2.1512 6 2 0 42.16 6.88 2.1436 -1 5 2 42.19 1.18 2.1419 -1 3 3 43.31 3.78 2.0893 -3 5 2 43.34 1.49 2.0878 3 3 2 43.38 3.50 2.0859 4 0 2 43.50 1.07 2.0803 4 4 1 43.62 1.12 2.0749 2 6 0 43.89 2.53 2.0629 -6 0 3 44.37 2.30 2.0418 -7 1 2 45.25 1.36 2.0041 1 5 2 45.52 6.79 1.9927 2 0 3 45.66 3.90 1.9870 4 2 2 46.27 2.57 1.9622 -6 4 1 46.30 4.02 1.9609 6 0 1 46.43 9.28 1.9558 -5 5 1 46.76 3.27 1.9426 1 3 3 47.07 1.35 1.9305 2 6 1 47.72 4.95 1.9060 2 2 3 48.17 1.42 1.8890 5 5 0 48.19 1.10 1.8882 -7 3 1 48.37 3.29 1.8816 -2 6 2 48.46 1.04 1.8786 -5 5 2 48.70 6.48 1.8698 -3 1 4 48.78 5.90 1.8669 -7 1 3 49.27 12.59 1.8494 0 6 2 49.91 1.97 1.8271 5 1 2 49.97 3.66 1.8252 -8 0 1 50.66 1.20 1.8020 3 1 3 50.81 2.50 1.7969 -4 2 4 50.99 1.45 1.7912 -1 5 3 51.98 1.59 1.7591 3 5 2 52.02 5.68 1.7580 4 4 2 52.23 3.79 1.7513 0 0 4 52.90 1.38 1.7309 -7 3 3 53.64 3.45 1.7087 8 0 0 53.90 4.49 1.7011 2 4 3 54.61 3.51 1.6806 -6 2 4 55.00 1.64 1.6697 1 5 3 55.36 1.85 1.6596 4 0 3 56.27 6.27 1.6348 -7 5 1 56.32 3.28 1.6337 -7 1 4 56.33 2.09 1.6333 0 8 0 56.49 1.12 1.6289 -6 6 1 56.62 4.97 1.6255 -2 4 4 56.67 1.72 1.6242 3 7 1 56.73 4.67 1.6227 -9 1 2 56.79 3.61 1.6212 -7 5 2 57.64 1.21 1.5992 -6 6 2 57.69 2.09 1.5979 6 2 2 57.75 1.19 1.5965 -8 4 2 58.06 3.93 1.5885 2 8 0 58.44 2.23 1.5792 -2 8 1 59.05 7.75 1.5643 7 5 0 59.59 1.72 1.5514 1 3 4 59.93 3.07 1.5434 0 4 4 60.07 1.67 1.5402 -7 3 4 60.39 1.59 1.5329 8 0 1 60.47 1.97 1.5310 -3 5 4 60.85 2.40 1.5223 -8 4 3 60.92 9.50 1.5208 2 8 1 61.01 1.05 1.5186 2 2 4 62.01 1.81 1.4965 -1 5 4 62.25 2.81 1.4915 -4 8 1 62.47 4.95 1.4866 -2 0 5 62.80 1.78 1.4796 4 4 3 63.04 2.32 1.4745 -10 0 2 63.09 2.21 1.4736 4 8 0 64.12 1.04 1.4523 3 1 4 64.52 4.22 1.4444 -4 8 2 64.68 3.17 1.4411 -1 1 5 64.81 3.80 1.4385 -9 1 4 64.83 1.67 1.4382 -10 0 3 64.86 1.32 1.4375 7 5 1 65.03 3.78 1.4341 9 3 0 65.53 1.95 1.4245 -3 3 5 65.74 2.78 1.4204 -2 6 4 66.31 3.37 1.4097 -7 1 5 66.75 1.03 1.4014 2 8 2 67.57 1.66 1.3863 -9 5 2 68.16 1.39 1.3758 -1 3 5 68.27 1.30 1.3739 -9 5 1 68.79 3.52 1.3647 0 6 4 68.80 1.48 1.3645 4 0 4 69.47 1.09 1.3531 -2 4 5 69.58 1.31 1.3512 -10 0 4 69.70 2.35 1.3491 8 0 2 69.87 1.34 1.3463 -9 5 3 70.10 4.31 1.3423 -6 8 2 70.26 3.05 1.3398 -3 9 2 70.46 1.05 1.3365 1 1 5 70.50 1.19 1.3357 4 2 4 70.98 1.10 1.3278 -3 7 4 71.01 5.49 1.3274 6 8 0 71.70 1.52 1.3163 -10 4 3 71.77 1.52 1.3151 -11 1 3 72.32 2.50 1.3066 0 10 0 72.45 2.56 1.3046 -11 1 1 72.58 2.60 1.3025 -5 9 1 73.33 2.46 1.2911 7 5 2 74.38 1.87 1.2755 3 5 4 75.10 2.28 1.2649 -11 3 3 75.22 5.48 1.2632 2 8 3 75.51 3.32 1.2591 4 4 4 75.61 1.47 1.2577 -8 4 5 75.77 2.16 1.2555 -11 3 1 76.45 1.79 1.2460 -6 0 6 77.62 2.41 1.2300 -9 7 2 77.64 1.53 1.2298 -4 8 4 78.06 2.25 1.2242 0 10 2 78.43 1.15 1.2194 -7 1 6 79.05 1.13 1.2114 -11 3 4 80.48 1.10 1.1933 -7 9 1 80.71 1.16 1.1906 -6 8 4 80.94 4.06 1.1878 9 3 2 81.21 1.30 1.1845 -8 8 3 82.94 3.33 1.1642 -6 4 6 82.94 1.15 1.1641 4 8 3 83.30 1.88 1.1600 6 8 2 84.09 2.17 1.1512 -3 9 4 84.76 1.14 1.1438 -9 7 4 85.73 1.16 1.1332 -5 5 6 87.22 2.07 1.1177 6 4 4 89.05 1.50 1.0994 0 4 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.