Erionite-Ca Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data for R060836 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 Shourdo CELL PARAMETERS: 13.2640 13.2640 15.0670 90.000 90.000 120.000 SPACE GROUP: P6_3/mmc ATOM X Y Z OCCUPANCY ISO(B) Si 0.00060 0.23290 0.10520 0.823 2.842 Al 0.00060 0.23290 0.10520 0.177 2.842 Si 0.09260 0.42260 0.25000 0.695 2.448 Al 0.09260 0.42260 0.25000 0.305 2.448 Ca 0.33333 0.66667 0.10400 0.150 6.080 Ca 0.33333 0.66667 0.88700 0.120 5.448 Ca 0.66667 0.33333 0.20100 0.130 2.527 Ca 0.50000 0.00000 0.00000 0.140 5.132 Mg 0.66667 0.33333 0.07300 0.130 8.133 K 0.00000 0.00000 0.25000 1.000 3.000 O 0.02510 0.34730 0.66090 1.000 3.553 O 0.09730 0.19460 0.12610 1.000 1.500 O 0.12630 0.25260 0.63200 1.000 1.895 O 0.26800 0.00000 0.00000 1.000 3.000 O 0.23100 0.46200 0.25000 1.000 3.395 O 0.09700 0.54850 0.25000 1.000 5.527 Wa 0.26600 0.53200 0.00800 0.290 6.790 Wa 0.23500 0.47000 0.71800 0.360 10.106 Wa 0.26000 0.52200 0.69400 0.180 10.106 Wa 0.43100 0.86200 0.90300 0.610 10.896 Wa 0.46200 -0.07400 0.02900 0.220 10.896 Wa 0.46500 0.93000 0.77900 0.140 10.896 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 10 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 7.596057020 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.70 100.00 11.4870 1 0 0 11.75 25.32 7.5335 0 0 2 13.35 40.90 6.6320 1 1 0 14.06 10.19 6.2996 1 0 2 15.43 4.35 5.7435 2 0 0 16.52 1.88 5.3668 2 0 1 19.29 10.69 4.6017 1 0 3 19.43 5.98 4.5675 2 0 2 20.46 27.22 4.3417 2 1 0 21.30 10.56 4.1719 2 1 1 23.23 10.20 3.8290 3 0 0 23.53 3.34 3.7807 2 0 3 23.62 2.88 3.7668 0 0 4 23.65 51.52 3.7617 2 1 2 24.88 39.96 3.5792 1 0 4 26.11 1.70 3.4134 3 0 2 26.89 11.59 3.3160 2 2 0 27.15 9.47 3.2845 2 1 3 27.23 2.54 3.2753 1 1 4 28.01 4.08 3.1859 3 1 0 28.33 17.18 3.1498 2 0 4 30.46 3.69 2.9343 3 1 2 30.67 5.39 2.9148 1 0 5 31.14 25.98 2.8717 4 0 0 31.44 43.54 2.8452 2 1 4 31.72 7.10 2.8210 4 0 1 33.30 3.12 2.6903 3 1 3 33.39 7.80 2.6834 4 0 2 33.58 3.20 2.6684 2 0 5 35.76 1.56 2.5112 0 0 6 35.82 6.38 2.5067 4 1 0 36.09 2.46 2.4890 2 2 4 36.11 7.08 2.4875 3 2 2 36.29 2.83 2.4756 2 1 5 36.33 1.59 2.4727 4 1 1 40.82 7.09 2.2107 3 3 0 41.24 1.77 2.1892 3 1 5 42.62 3.29 2.1212 3 3 2 43.08 2.03 2.0999 3 0 6 43.31 1.48 2.0892 5 0 3 43.38 1.79 2.0860 4 2 2 43.53 1.46 2.0789 4 0 5 45.59 1.65 1.9898 5 1 2 46.29 2.33 1.9614 5 0 4 47.16 1.08 1.9271 4 1 5 48.33 6.41 1.8834 0 0 8 49.01 2.14 1.8586 1 0 8 49.56 2.78 1.8394 5 2 0 50.43 1.39 1.8095 5 1 4 51.51 11.09 1.7741 4 1 6 51.71 1.13 1.7676 4 3 3 53.18 3.27 1.7223 4 0 7 53.72 2.58 1.7062 6 1 2 54.10 1.80 1.6950 5 0 6 55.37 1.30 1.6593 3 3 6 55.42 8.47 1.6580 4 4 0 55.56 1.51 1.6540 6 1 3 56.40 1.20 1.6313 5 3 1 57.60 1.11 1.6002 4 3 5 58.07 5.40 1.5884 6 1 4 61.59 2.20 1.5057 4 1 8 63.22 1.27 1.4708 5 4 0 63.40 1.71 1.4672 6 2 4 64.95 1.10 1.4359 8 0 0 65.28 1.42 1.4294 8 0 1 65.58 2.14 1.4234 2 1 10 67.72 2.76 1.3836 4 4 6 68.49 2.37 1.3700 5 4 4 70.59 2.89 1.3342 4 0 10 72.23 1.05 1.3080 3 2 10 74.32 2.53 1.2763 9 0 0 75.01 1.32 1.2662 8 1 4 76.56 2.39 1.2445 4 4 8 78.20 2.75 1.2224 7 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.