Offretite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R060767 Gualtieri A, Artioli G, Passaglia E, Bigi S, Viani A, Hanson J C American Mineralogist 83 (1998) 590-606 Crystal structure-crystal chemistry relationships in the zeolites erionite and offretite Sample from Mt. Semiol CELL PARAMETERS: 13.2900 13.2900 7.5720 90.000 90.000 120.000 SPACE GROUP: P-6m2 ATOM X Y Z OCCUPANCY ISO(B) Si -0.00040 0.23080 0.20670 0.710 2.211 Al -0.00040 0.23080 0.20670 0.290 2.211 Si 0.09190 0.42100 0.50000 0.710 2.369 Al 0.09190 0.42100 0.50000 0.290 2.369 Ca 0.66667 0.33333 0.35300 0.430 5.290 Ca 0.66667 0.33333 0.24500 0.270 4.106 K 0.00000 0.00000 0.50000 1.000 3.158 Mg 0.33333 0.66667 0.00000 1.000 2.053 O 0.02670 0.34760 0.31880 1.000 2.369 O 0.09420 0.90560 0.23400 1.000 1.263 O 0.88490 0.11510 0.28070 1.000 2.053 O 0.00930 0.27220 0.00000 1.000 2.527 O 0.22710 0.77290 0.50000 1.000 0.790 O 0.45450 0.54550 0.50000 1.000 4.027 Wa 0.33333 0.66667 0.25870 1.000 3.395 Wa 0.24370 0.75630 0.00000 0.800 3.237 Wa 0.17400 0.49570 0.00000 0.300 4.737 Wa 0.75790 0.24210 0.50000 1.000 4.579 Wa -0.43570 0.43570 0.17130 0.350 3.316 Wa -0.48200 0.48200 0.12310 0.370 3.316 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 10 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 12.01466358 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.68 100.00 11.5095 1 0 0 11.69 7.82 7.5720 0 0 1 13.32 5.50 6.6450 1 1 0 14.00 5.12 6.3258 1 0 1 15.40 16.26 5.7547 2 0 0 19.37 11.59 4.5817 2 0 1 20.42 21.34 4.3502 2 1 0 23.18 15.40 3.8365 3 0 0 23.50 1.23 3.7860 0 0 2 23.59 45.39 3.7720 2 1 1 24.76 32.83 3.5964 1 0 2 26.04 4.69 3.4223 3 0 1 26.83 4.93 3.3225 2 2 0 28.21 5.60 3.1629 2 0 2 30.39 7.47 2.9415 3 1 1 31.08 24.03 2.8774 4 0 0 31.32 46.47 2.8559 2 1 2 33.31 7.91 2.6897 4 0 1 33.95 1.66 2.6405 3 2 0 35.57 1.18 2.5240 0 0 3 35.75 10.47 2.5116 4 1 0 36.02 4.16 2.4932 3 2 1 38.97 1.98 2.3115 2 0 3 40.74 8.11 2.2150 3 3 0 42.52 2.32 2.1259 3 3 1 42.89 4.52 2.1086 3 0 3 43.28 1.88 2.0905 4 2 1 45.48 3.11 1.9942 5 1 1 46.15 2.45 1.9669 5 0 2 47.94 2.64 1.8974 4 0 3 48.06 5.18 1.8930 0 0 4 48.75 2.17 1.8679 1 0 4 51.32 3.89 1.7803 4 1 3 53.60 2.82 1.7098 6 1 1 53.91 2.64 1.7008 5 0 3 55.17 1.55 1.6648 3 3 3 55.30 8.02 1.6612 4 4 0 57.64 1.20 1.5993 5 1 3 57.76 1.66 1.5961 6 2 0 57.91 6.27 1.5924 6 1 2 58.35 1.87 1.5814 4 0 4 59.16 1.39 1.5618 6 2 1 60.63 1.55 1.5272 6 0 3 61.32 2.16 1.5117 4 1 4 65.23 2.05 1.4302 2 1 5 67.50 2.05 1.3877 4 4 3 68.30 1.44 1.3733 5 4 2 70.24 1.56 1.3401 4 0 5 74.15 2.50 1.2788 9 0 0 74.81 1.19 1.2691 8 1 2 76.26 2.17 1.2486 4 4 4 77.98 3.08 1.2252 7 3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.