Scolecite Comodi P, Gatta G D, Zanazzi P F European Journal of Mineralogy 14 (2002) 567-574 High-pressure structural behaviour of scolecite Sample: P = .0001 GPa (after compression) Note: y-coordinate of O5 altered to match bond lengths _database_code_amcsd 0006936 CELL PARAMETERS: 6.5420 18.8420 9.8630 90.000 109.890 90.000 SPACE GROUP: Cc X-RAY WAVELENGTH: 1.541838 Cell Volume: 1143.233 Density (g/cm3): 2.317 MAX. ABS. INTENSITY / VOLUME**2: 6.022023651 RIR: 0.846 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.40 43.47 6.6093 0 2 1 2 15.07 100.00 5.8782 -1 1 1 2 15.15 10.58 5.8480 1 1 0 2 18.84 38.39 4.7105 0 4 0 2 19.14 28.54 4.6373 0 0 2 1 20.15 23.71 4.4076 -1 3 1 2 20.21 20.27 4.3948 1 3 0 2 20.23 41.57 4.3899 -1 1 2 2 20.41 8.99 4.3523 1 1 1 2 21.15 15.14 4.1999 0 4 1 2 21.36 9.41 4.1606 0 2 2 2 24.28 2.47 3.6656 -1 3 2 2 24.43 15.50 3.6436 1 3 1 2 26.98 1.68 3.3047 0 4 2 2 27.72 10.34 3.2184 -1 5 1 2 27.76 12.23 3.2134 1 5 0 2 27.94 13.75 3.1929 -1 1 3 2 28.16 19.45 3.1687 1 1 2 2 28.86 5.09 3.0935 -2 0 2 1 28.90 10.41 3.0899 -2 2 1 2 29.03 8.84 3.0759 2 0 0 1 30.04 6.04 2.9745 0 6 1 2 30.41 39.84 2.9391 -2 2 2 2 30.43 7.81 2.9374 0 2 3 2 30.57 14.07 2.9240 2 2 0 2 30.91 33.68 2.8929 -1 5 2 2 31.03 66.05 2.8820 1 5 1 2 31.06 31.50 2.8793 -1 3 3 2 31.26 53.58 2.8615 1 3 2 2 33.35 2.22 2.6867 -2 4 1 2 34.49 1.40 2.6002 0 6 2 2 34.69 3.02 2.5858 -2 4 2 2 34.71 4.40 2.5846 0 4 3 2 34.75 4.21 2.5817 -2 2 3 2 35.03 1.20 2.5612 2 2 1 2 36.40 3.25 2.4682 -1 7 1 2 36.43 3.76 2.4660 1 7 0 2 36.75 3.53 2.4456 1 5 2 2 36.79 2.26 2.4431 -1 1 4 2 37.03 8.31 2.4279 1 1 3 2 38.21 1.72 2.3552 0 8 0 2 38.60 2.02 2.3323 -2 4 3 2 38.84 1.67 2.3187 0 0 4 1 38.96 3.63 2.3119 -1 7 2 2 39.05 1.31 2.3064 1 7 1 2 39.28 1.81 2.2937 -1 3 4 2 39.47 3.98 2.2828 0 8 1 2 39.79 6.81 2.2653 -2 6 1 2 39.94 4.72 2.2571 -2 0 4 1 40.05 3.39 2.2515 0 2 4 2 40.95 11.74 2.2038 -2 6 2 2 40.97 13.45 2.2031 0 6 3 2 41.08 3.11 2.1974 2 6 0 2 41.12 3.71 2.1950 -2 2 4 2 41.50 7.94 2.1761 2 2 2 2 41.95 1.27 2.1537 -3 1 2 2 42.04 3.52 2.1493 -3 1 1 2 43.08 1.96 2.0999 0 8 2 2 43.50 3.43 2.0803 0 4 4 2 43.90 1.23 2.0622 -1 5 4 2 44.11 1.41 2.0530 1 5 3 2 44.20 2.80 2.0493 -3 3 2 2 44.28 2.76 2.0454 -3 3 1 2 44.44 5.44 2.0385 3 1 0 2 44.51 2.13 2.0355 -2 4 4 2 44.63 1.63 2.0304 2 6 1 2 45.75 2.72 1.9831 -1 9 1 2 46.32 1.37 1.9602 -1 1 5 2 46.34 10.24 1.9594 -3 3 3 2 46.57 1.54 1.9501 1 1 4 2 47.58 1.35 1.9113 -2 8 1 2 47.98 3.32 1.8962 1 9 1 2 48.30 1.45 1.8842 0 10 0 2 48.52 1.64 1.8762 -3 5 1 2 48.58 1.99 1.8739 -2 8 2 2 48.60 1.62 1.8735 0 8 3 2 48.65 2.31 1.8716 1 3 4 2 48.82 3.29 1.8653 0 6 4 2 48.88 2.78 1.8633 3 1 1 2 49.34 5.03 1.8470 2 2 3 2 49.35 4.47 1.8465 0 10 1 2 50.12 5.74 1.8200 0 2 5 2 50.20 6.92 1.8174 -1 7 4 2 50.38 1.59 1.8112 1 7 3 2 50.44 5.60 1.8091 -3 5 3 2 50.49 8.11 1.8076 -3 3 4 2 50.68 3.58 1.8012 3 5 0 2 50.89 1.77 1.7944 3 3 1 2 51.84 3.18 1.7638 2 8 1 2 51.90 1.79 1.7619 -2 4 5 2 52.01 3.27 1.7584 -1 9 3 2 52.31 1.80 1.7489 2 4 3 2 52.39 3.12 1.7465 -1 5 5 2 52.42 4.18 1.7456 0 10 2 2 53.06 2.73 1.7259 0 4 5 2 54.36 1.94 1.6876 -3 5 4 2 54.74 4.34 1.6769 3 5 1 2 55.62 1.55 1.6523 0 8 4 2 55.68 1.72 1.6508 -1 11 1 2 55.70 3.57 1.6501 1 11 0 2 56.25 6.88 1.6354 -4 0 2 1 56.35 8.84 1.6327 -2 10 1 2 56.44 1.84 1.6304 -1 1 6 2 56.47 1.75 1.6296 -2 8 4 2 56.71 4.41 1.6233 1 1 5 2 56.84 5.63 1.6199 -2 0 6 1 57.02 1.80 1.6153 2 6 3 2 57.25 1.55 1.6092 -2 10 2 2 57.26 1.09 1.6089 0 10 3 2 57.33 2.14 1.6073 2 0 4 1 57.55 1.00 1.6015 -1 11 2 2 57.72 1.51 1.5971 0 6 5 2 57.79 1.56 1.5954 -1 9 4 2 57.96 1.20 1.5911 1 9 3 2 58.00 1.27 1.5902 -1 7 5 2 58.21 1.93 1.5848 1 7 4 2 58.53 1.03 1.5771 1 3 5 2 59.85 1.20 1.5454 -3 7 4 2 59.95 2.51 1.5431 -3 5 5 2 60.17 1.38 1.5378 2 10 1 2 60.20 1.90 1.5371 3 7 1 2 60.43 2.96 1.5318 -2 4 6 2 60.68 1.72 1.5261 -4 4 3 2 62.44 2.32 1.4872 0 12 2 2 62.85 5.40 1.4787 -2 8 5 2 63.21 8.15 1.4710 2 8 3 2 63.30 1.30 1.4692 -3 9 3 2 63.32 2.51 1.4687 0 4 6 2 63.50 2.33 1.4649 3 9 0 2 63.58 1.17 1.4633 -3 3 6 2 65.00 3.04 1.4349 -4 6 3 2 65.18 1.19 1.4313 -4 6 1 2 65.19 1.79 1.4311 1 9 4 2 65.57 2.00 1.4237 4 2 1 2 66.00 1.01 1.4155 -2 12 1 2 66.48 1.01 1.4064 -1 11 4 2 67.06 1.51 1.3957 3 9 1 2 67.50 1.08 1.3876 -4 6 4 2 67.55 2.45 1.3868 -4 4 5 2 67.56 1.32 1.3865 3 5 3 2 67.86 1.75 1.3812 4 6 0 2 67.92 1.37 1.3800 -1 13 2 2 68.05 1.09 1.3777 2 2 5 2 68.08 1.34 1.3773 4 4 1 2 69.15 1.23 1.3585 1 3 6 2 70.04 1.88 1.3433 -4 8 2 2 70.07 1.04 1.3429 -3 11 1 2 70.80 3.07 1.3309 -4 8 3 2 70.92 1.17 1.3288 -4 2 6 2 70.97 1.00 1.3281 -4 8 1 2 71.17 1.22 1.3248 3 1 4 2 71.28 1.06 1.3230 -1 13 3 2 71.35 2.31 1.3219 0 10 5 2 71.39 2.63 1.3213 1 13 2 2 71.62 2.03 1.3177 4 2 2 2 71.64 2.19 1.3173 -4 6 5 2 71.74 2.46 1.3157 -3 9 5 2 71.88 1.95 1.3134 -3 7 6 2 72.12 3.05 1.3097 -1 5 7 2 72.19 1.96 1.3085 3 9 2 2 72.40 1.52 1.3053 1 5 6 2 72.46 2.01 1.3043 3 7 3 2 72.56 1.09 1.3028 -5 1 3 2 73.47 1.33 1.2889 -2 12 4 2 73.72 1.34 1.2851 2 12 2 2 74.03 1.15 1.2806 4 4 2 2 74.03 1.17 1.2806 -2 6 7 2 74.54 1.35 1.2731 2 6 5 2 77.33 1.96 1.2340 0 14 3 2 77.55 1.15 1.2310 -1 15 1 2 77.57 3.08 1.2307 1 15 0 2 78.32 1.96 1.2207 0 6 7 2 78.80 2.51 1.2146 -1 1 8 2 79.11 1.41 1.2106 1 1 7 2 79.16 1.73 1.2100 -5 5 1 2 79.36 1.30 1.2074 5 3 0 2 80.58 1.39 1.1922 -4 4 7 2 80.64 1.31 1.1914 4 10 0 2 81.31 2.04 1.1833 -1 11 6 2 81.95 1.09 1.1756 -5 5 5 2 84.23 2.08 1.1495 -3 13 4 2 84.54 1.49 1.1461 3 13 1 2 84.87 1.21 1.1425 -3 5 8 2 85.67 1.83 1.1339 3 5 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.