Levyne-Ca Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080128 Gatta G D, Comodi P, Zanazzi P F, Ballaran T B American Mineralogist 90 (2005) 645-652 Anomalous elastic behavior and high-pressure structural evolution of zeolite levyne Locality: Beech Creek, Grant County, Oregon P = .0001 GPa uncompressed CELL PARAMETERS: 13.3920 13.3920 22.6980 90.000 90.000 120.000 SPACE GROUP: R-3m ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.00000 0.14030 0.770 1.816 Ca 0.00000 0.00000 0.28440 0.230 4.658 K 0.00000 0.00000 0.43100 0.240 11.054 Na 0.00000 0.00000 0.50000 0.300 0.395 Si 0.00020 0.23230 0.07008 0.637 1.176 Al 0.00020 0.23230 0.07008 0.363 1.176 Si 0.23910 0.00000 0.50000 0.797 1.058 Al 0.23910 0.00000 0.50000 0.203 1.058 O 0.03490 0.35000 0.10810 1.000 2.550 O 0.09150 -0.09150 0.08350 1.000 2.211 O 0.12880 -0.12880 -0.09190 1.000 2.369 O 0.26300 0.00000 0.00000 1.000 2.606 O 0.22250 -0.22250 0.17960 1.000 2.448 Wa 0.15330 0.07660 0.21070 1.000 4.658 Wa 0.12180 0.24300 0.28540 1.000 12.554 Wa 0.15800 0.07900 0.34960 1.000 13.660 Wa 0.21000 0.42100 0.28700 0.130 3.158 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 10 +/- 20 MAX. ABS. INTENSITY / VOLUME**2: 5.264304352 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.55 / 8.58 8.07 / 4.04 10.3277 1 0 1 10.90 / 10.93 9.21 / 4.60 8.1115 0 1 2 11.69 / 11.72 2.05 / 1.03 7.5660 0 0 3 13.21 / 13.24 17.88 / 8.94 6.6960 1 1 0 15.76 / 15.80 6.97 / 3.48 5.6184 0 2 1 17.16 / 17.20 13.13 / 6.57 5.1639 2 0 2 17.38 / 17.43 1.14 / 0.57 5.0971 1 0 4 17.67 / 17.72 2.33 / 1.17 5.0143 1 1 3 20.62 / 20.67 14.66 / 7.33 4.3040 2 1 1 21.00 / 21.05 63.88 / 31.94 4.2273 0 1 5 21.72 / 21.77 82.50 / 41.25 4.0891 1 2 2 22.99 / 23.04 3.88 / 1.94 3.8659 3 0 0 23.50 / 23.56 8.05 / 4.02 3.7830 0 0 6 24.89 / 24.95 5.95 / 2.98 3.5746 2 0 5 25.66 / 25.72 38.71 / 19.35 3.4690 2 1 4 25.86 / 25.92 17.24 / 8.62 3.4426 0 3 3 25.86 / 25.92 2.25 / 1.12 3.4426 3 0 3 26.60 / 26.67 14.08 / 7.04 3.3480 2 2 0 27.05 / 27.12 6.77 / 3.38 3.2937 1 1 6 27.99 / 28.06 1.12 / 0.56 3.1848 1 3 1 28.28 / 28.35 52.45 / 26.22 3.1534 1 2 5 28.56 / 28.63 25.44 / 12.72 3.1228 1 0 7 28.82 / 28.90 24.36 / 12.18 3.0948 3 1 2 31.07 / 31.15 17.05 / 8.53 2.8761 4 0 1 31.59 / 31.67 4.26 / 2.13 2.8302 0 2 7 31.83 / 31.91 100.00 / 50.00 2.8092 0 4 2 31.96 / 32.04 4.83 / 2.42 2.7983 1 3 4 33.10 / 33.19 10.20 / 5.10 2.7038 0 3 6 33.10 / 33.19 13.58 / 6.79 2.7038 3 0 6 34.13 / 34.22 13.86 / 6.93 2.6246 3 1 5 34.37 / 34.46 24.82 / 12.41 2.6069 2 1 7 34.60 / 34.69 12.92 / 6.46 2.5905 2 3 2 35.18 / 35.27 2.06 / 1.03 2.5486 2 0 8 35.44 / 35.53 12.12 / 6.06 2.5309 4 1 0 35.57 / 35.66 2.28 / 1.14 2.5220 0 0 9 36.75 / 36.84 1.64 / 0.82 2.4436 0 4 5 37.30 / 37.39 1.12 / 0.56 2.4090 3 2 4 37.44 / 37.54 4.16 / 2.08 2.4001 1 4 3 37.44 / 37.54 11.27 / 5.64 2.4001 4 1 3 37.74 / 37.83 9.87 / 4.94 2.3819 1 2 8 39.21 / 39.31 6.27 / 3.14 2.2955 2 3 5 39.43 / 39.53 3.86 / 1.93 2.2836 1 3 7 40.38 / 40.48 15.31 / 7.66 2.2320 3 3 0 40.46 / 40.57 4.08 / 2.04 2.2275 1 0 10 41.35 / 41.46 3.46 / 1.73 2.1816 2 4 1 41.95 / 42.06 2.79 / 1.40 2.1520 4 2 2 42.05 / 42.16 1.26 / 0.63 2.1471 0 5 4 42.18 / 42.29 1.28 / 0.64 2.1408 3 3 3 42.75 / 42.86 6.97 / 3.49 2.1137 0 2 10 42.77 / 42.89 3.23 / 1.61 2.1123 0 3 9 42.77 / 42.89 2.41 / 1.21 2.1123 3 0 9 42.96 / 43.07 1.22 / 0.61 2.1035 1 4 6 42.96 / 43.07 1.99 / 0.99 2.1035 4 1 6 43.60 / 43.71 5.37 / 2.68 2.0743 5 1 1 43.79 / 43.91 1.35 / 0.67 2.0655 5 0 5 43.99 / 44.10 6.06 / 3.03 2.0569 3 2 7 45.94 / 46.06 1.97 / 0.98 1.9738 4 2 5 46.40 / 46.52 2.70 / 1.35 1.9554 5 1 4 46.68 / 46.81 3.02 / 1.51 1.9440 2 0 11 46.77 / 46.89 2.71 / 1.35 1.9408 2 3 8 46.97 / 47.09 1.45 / 0.72 1.9330 6 0 0 48.06 / 48.19 2.41 / 1.20 1.8915 0 0 12 48.20 / 48.32 6.12 / 3.06 1.8866 0 5 7 48.57 / 48.70 1.07 / 0.54 1.8728 6 0 3 49.01 / 49.14 3.51 / 1.75 1.8571 5 2 0 49.08 / 49.21 4.24 / 2.12 1.8546 1 3 10 50.07 / 50.20 2.12 / 1.06 1.8203 1 1 12 50.20 / 50.33 2.86 / 1.43 1.8159 2 4 7 50.56 / 50.70 1.29 / 0.65 1.8036 2 5 3 51.09 / 51.22 12.75 / 6.37 1.7864 1 4 9 51.09 / 51.22 6.89 / 3.45 1.7864 4 1 9 52.15 / 52.29 2.12 / 1.06 1.7526 5 1 7 52.31 / 52.45 1.06 / 0.53 1.7476 6 1 2 54.28 / 54.43 2.86 / 1.43 1.6885 1 6 4 54.79 / 54.94 18.39 / 9.19 1.6740 4 4 0 54.88 / 55.03 1.67 / 0.83 1.6714 3 3 9 55.04 / 55.19 1.27 / 0.63 1.6671 5 2 6 55.57 / 55.72 2.60 / 1.30 1.6524 3 5 1 55.73 / 55.88 2.64 / 1.32 1.6480 6 1 5 55.77 / 55.92 1.75 / 0.87 1.6468 2 2 12 57.33 / 57.49 7.05 / 3.53 1.6057 0 1 14 57.86 / 58.01 8.87 / 4.43 1.5924 2 6 2 59.48 / 59.65 9.13 / 4.56 1.5527 1 6 7 60.25 / 60.42 1.39 / 0.70 1.5347 5 1 10 60.87 / 61.04 2.24 / 1.12 1.5206 1 2 14 61.08 / 61.24 1.59 / 0.80 1.5160 2 6 5 61.11 / 61.28 1.93 / 0.97 1.5151 1 4 12 61.11 / 61.28 1.80 / 0.90 1.5151 4 1 12 62.01 / 62.18 1.19 / 0.60 1.4954 2 5 9 62.64 / 62.82 2.19 / 1.10 1.4818 5 4 1 62.94 / 63.12 1.96 / 0.98 1.4754 3 5 7 62.94 / 63.12 1.86 / 0.93 1.4754 7 0 7 63.09 / 63.26 1.22 / 0.61 1.4724 4 5 2 63.40 / 63.57 1.83 / 0.92 1.4660 1 5 11 64.52 / 64.70 1.39 / 0.70 1.4430 3 3 12 64.78 / 64.96 2.63 / 1.31 1.4380 8 0 2 65.96 / 66.14 7.72 / 3.86 1.4151 0 4 14 66.15 / 66.34 2.56 / 1.28 1.4114 4 5 5 67.03 / 67.22 1.77 / 0.89 1.3950 0 5 13 67.05 / 67.24 2.64 / 1.32 1.3947 4 4 9 67.80 / 67.99 2.04 / 1.02 1.3810 8 0 5 69.57 / 69.77 5.93 / 2.96 1.3501 5 4 7 69.71 / 69.91 1.53 / 0.76 1.3478 1 8 2 70.22 / 70.42 1.08 / 0.54 1.3392 5 5 0 70.85 / 71.06 1.04 / 0.52 1.3289 5 0 14 71.18 / 71.39 1.51 / 0.75 1.3235 0 8 7 72.64 / 72.85 2.93 / 1.46 1.3005 1 8 5 72.78 / 72.99 1.84 / 0.92 1.2984 2 7 7 73.20 / 73.41 1.53 / 0.76 1.2919 5 3 11 73.42 / 73.63 5.20 / 2.60 1.2886 9 0 0 74.38 / 74.60 4.57 / 2.28 1.2743 4 0 16 75.79 / 76.01 2.03 / 1.02 1.2541 3 7 5 75.83 / 76.05 3.13 / 1.57 1.2536 4 4 12 75.93 / 76.15 1.32 / 0.66 1.2521 8 1 7 75.95 / 76.17 1.04 / 0.52 1.2518 3 2 16 79.04 / 79.27 4.21 / 2.10 1.2105 7 3 7 79.06 / 79.29 1.03 / 0.52 1.2102 0 5 16 83.32 / 83.58 2.49 / 1.24 1.1588 5 3 14 84.33 / 84.59 1.44 / 0.72 1.1475 0 9 9 84.33 / 84.59 1.65 / 0.83 1.1475 9 0 9 89.40 / 89.69 2.75 / 1.38 1.0950 4 5 14 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.