Erionite-Ca Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R061126 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 Lady Hill CELL PARAMETERS: 13.3600 13.3600 15.2400 90.000 90.000 120.000 SPACE GROUP: P6_3/mmc ATOM X Y Z OCCUPANCY ISO(B) Si 0.00120 0.23080 0.10580 0.939 2.132 Al 0.00120 0.23080 0.10580 0.061 2.132 Si 0.08710 0.41900 0.25000 0.512 1.184 Al 0.08710 0.41900 0.25000 0.488 1.184 Ca 0.33333 0.66667 0.11800 0.400 7.185 Ca 0.33333 0.66667 0.94200 0.470 6.474 Ca 0.66667 0.33333 0.22100 0.070 3.237 Ca 0.50000 0.00000 0.00000 0.040 7.185 K 0.00000 0.00000 0.25000 1.000 4.027 O 0.02950 0.34430 0.15840 1.000 3.474 O 0.09910 0.19820 0.12850 1.000 4.106 O 0.12660 0.25320 0.62840 1.000 3.474 O 0.26450 0.00000 0.00000 1.000 4.027 O 0.23140 0.46280 0.25000 1.000 2.606 O 0.11050 0.55520 0.25000 1.000 2.763 Wa 0.27050 0.54100 -0.06000 0.390 5.290 Wa 0.24390 0.48780 0.01540 0.460 5.290 Wa 0.20500 0.41000 0.75000 0.310 3.790 Wa 0.25400 0.50800 0.69100 0.290 3.790 Wa 0.44140 0.88280 0.91410 0.620 3.711 Wa 0.47000 -0.06000 0.02700 0.380 3.711 Wa 0.42050 0.84100 0.65860 0.180 3.711 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 10 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 5.694369239 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.64 100.00 11.5701 1 0 0 9.60 17.92 9.2153 1 0 1 11.61 4.16 7.6200 0 0 2 13.25 23.85 6.6800 1 1 0 15.32 19.84 5.7850 2 0 0 16.39 16.02 5.4085 2 0 1 17.66 2.09 5.0231 1 1 2 19.08 35.65 4.6514 1 0 3 19.26 14.65 4.6076 2 0 2 20.31 39.79 4.3731 2 1 0 21.14 13.60 4.2035 2 1 1 23.06 14.86 3.8567 3 0 0 23.35 5.75 3.8100 0 0 4 23.45 57.96 3.7929 2 1 2 24.60 47.33 3.6188 1 0 4 25.89 3.69 3.4411 3 0 2 26.69 12.32 3.3400 2 2 0 26.90 12.79 3.3142 2 1 3 26.94 2.95 3.3095 1 1 4 27.80 4.63 3.2090 3 1 0 28.04 18.31 3.1819 2 0 4 28.42 4.70 3.1401 3 1 1 29.07 2.87 3.0718 3 0 3 30.91 35.94 2.8925 4 0 0 31.13 69.00 2.8727 2 1 4 31.48 31.29 2.8418 4 0 1 33.02 1.73 2.7130 3 1 3 33.13 22.07 2.7042 4 0 2 33.22 2.88 2.6966 2 0 5 34.29 2.04 2.6150 3 2 1 35.34 3.57 2.5400 0 0 6 35.56 11.61 2.5248 4 1 0 35.75 2.45 2.5116 2 2 4 35.82 7.49 2.5066 3 2 2 35.91 8.95 2.5005 2 1 5 37.90 1.40 2.3742 1 1 6 40.51 12.83 2.2267 3 3 0 42.24 1.69 2.1396 1 0 7 42.29 1.54 2.1373 3 3 2 42.62 1.56 2.1213 3 0 6 43.04 4.32 2.1017 4 2 2 43.55 1.05 2.0781 5 1 0 45.23 1.27 2.0048 5 1 2 45.88 2.25 1.9778 5 0 4 47.74 7.67 1.9050 0 0 8 48.43 3.58 1.8797 1 0 8 49.18 2.62 1.8527 5 2 0 49.45 1.13 1.8431 5 0 5 49.77 1.49 1.8320 1 1 8 50.63 1.01 1.8028 6 0 3 51.00 15.29 1.7907 4 1 6 51.29 3.11 1.7813 4 3 3 51.82 1.29 1.7644 6 1 0 52.62 2.57 1.7395 4 0 7 53.29 2.59 1.7189 6 1 2 53.57 2.35 1.7106 5 0 6 54.79 2.14 1.6755 1 0 9 54.83 1.09 1.6744 3 3 6 54.98 14.02 1.6700 4 4 0 55.10 3.85 1.6668 6 1 3 57.28 1.48 1.6084 5 1 6 57.43 1.53 1.6045 6 2 0 57.57 7.82 1.6011 6 1 4 57.78 2.60 1.5957 6 2 1 57.97 1.06 1.5910 4 0 8 58.28 1.00 1.5832 5 2 5 58.45 1.53 1.5791 2 1 9 58.81 1.70 1.5701 6 2 2 60.26 1.39 1.5359 6 0 6 60.64 1.90 1.5270 6 1 5 60.92 3.91 1.5207 4 1 8 62.72 1.70 1.4814 5 4 0 62.85 2.81 1.4787 6 2 4 63.68 1.13 1.4613 4 0 9 64.78 2.77 1.4391 2 1 10 65.72 1.12 1.4209 8 0 2 67.07 3.69 1.3954 4 4 6 67.38 1.03 1.3898 7 2 2 67.88 3.70 1.3807 5 4 4 69.52 1.21 1.3521 8 0 4 69.75 4.49 1.3483 4 0 10 71.69 1.18 1.3165 5 3 7 73.69 4.04 1.2856 9 0 0 74.34 1.94 1.2760 8 1 4 74.56 1.17 1.2728 5 0 10 75.61 1.11 1.2576 3 3 10 75.74 3.11 1.2558 4 4 8 76.14 1.11 1.2503 4 2 10 77.49 3.83 1.2318 7 3 4 80.18 1.18 1.1971 7 3 5 83.89 1.10 1.1533 6 1 10 84.46 1.97 1.1470 9 0 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.