Ferrierite-Mg Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060982 Alberti A, Sabelli C Zeitschrift fur Kristallographie 178 (1987) 249-256 Statistical and true symmetry of ferrierite: possible absence of straight T-O-T bridging bonds Locality: Monastir, Sardinia, Italy CELL PARAMETERS: 19.1500 14.0900 7.4750 90.000 90.000 90.000 SPACE GROUP: Immm ATOM X Y Z OCCUPANCY ISO(B) K 0.42540 0.00000 0.00000 0.410 5.800 Mg 0.00000 0.00000 0.50000 1.000 2.800 Si 0.15500 0.00000 0.00000 0.880 1.300 Al 0.15500 0.00000 0.00000 0.120 1.300 Si 0.08380 0.20230 0.00000 0.690 1.100 Al 0.08380 0.20230 0.00000 0.310 1.100 Si 0.27150 0.00000 0.29220 0.880 1.600 Al 0.27150 0.00000 0.29220 0.120 1.600 Si 0.32310 0.20260 0.20690 0.960 1.200 Al 0.32310 0.20260 0.20690 0.040 1.200 O 0.00000 0.21580 0.00000 1.000 2.600 O 0.24950 0.00000 0.50000 1.000 2.900 O 0.10290 0.08920 0.00000 1.000 4.000 O 0.20190 0.00000 0.17770 1.000 4.800 O 0.25000 0.25000 0.25000 1.000 4.000 O 0.15640 0.28130 0.50000 1.000 3.200 O 0.11510 0.25050 0.18220 1.000 3.000 O 0.32090 0.09120 0.24700 1.000 3.500 Wa 0.00000 0.00000 0.23510 1.000 3.400 Wa 0.09820 0.06680 0.50000 0.500 5.100 Wa 0.04580 0.13290 0.50000 0.500 10.500 Wa 0.00000 0.42120 0.20710 0.500 25.500 Wa 0.00000 0.65680 0.36700 0.500 16.600 Wa 0.05380 0.50000 0.25640 0.390 5.800 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 17 +/- 12 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 3.776118051 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.79 15.05 11.3490 1 1 0 9.24 100.00 9.5750 2 0 0 12.56 6.24 7.0450 0 2 0 12.71 13.94 6.9633 1 0 1 13.41 32.06 6.6033 0 1 1 15.24 26.17 5.8145 3 1 0 17.91 19.45 4.9524 1 2 1 18.28 2.23 4.8542 3 0 1 18.53 1.42 4.7875 4 0 0 19.46 5.09 4.5615 1 3 0 22.24 71.06 3.9972 3 2 1 22.36 23.67 3.9768 0 3 1 22.45 68.97 3.9597 4 2 0 22.94 40.49 3.8760 4 1 1 23.52 45.67 3.7830 3 3 0 23.81 16.13 3.7375 0 0 2 24.08 26.27 3.6959 5 1 0 25.08 68.77 3.5500 1 1 2 25.28 97.35 3.5225 0 4 0 25.59 88.28 3.4817 2 0 2 26.14 13.33 3.4086 5 0 1 26.97 18.99 3.3059 2 4 0 27.01 1.17 3.3016 0 2 2 27.96 4.55 3.1917 6 0 0 28.39 34.59 3.1440 3 1 2 28.39 4.78 3.1432 1 4 1 28.60 11.79 3.1213 2 2 2 29.10 34.77 3.0683 5 2 1 29.19 1.77 3.0591 4 3 1 30.11 35.25 2.9682 5 3 0 30.34 14.01 2.9461 4 0 2 30.75 1.55 2.9072 6 2 0 30.93 15.39 2.8910 1 3 2 31.12 2.81 2.8736 6 1 1 31.53 1.44 2.8373 4 4 0 32.95 17.61 2.7180 4 2 2 33.36 2.74 2.6856 7 1 0 34.00 17.01 2.6368 0 5 1 34.12 1.86 2.6280 5 1 2 34.80 8.77 2.5780 3 5 0 34.92 1.57 2.5691 7 0 1 35.00 5.37 2.5634 0 4 2 35.31 1.28 2.5422 2 5 1 36.28 2.67 2.4762 2 4 2 37.04 13.60 2.4271 6 0 2 37.25 4.19 2.4136 7 2 1 38.05 1.01 2.3652 6 4 0 38.07 18.04 2.3639 7 3 0 38.62 4.09 2.3316 1 2 3 39.00 7.16 2.3097 4 5 1 39.89 3.87 2.2599 4 4 2 40.07 2.60 2.2504 8 1 1 40.36 1.69 2.2347 1 5 2 41.35 2.12 2.1835 4 1 3 42.12 5.22 2.1451 2 3 3 42.60 1.57 2.1221 3 5 2 42.78 2.76 2.1140 3 6 1 42.90 10.20 2.1084 4 6 0 42.99 2.47 2.1039 9 1 0 44.26 3.81 2.0465 9 0 1 44.57 1.79 2.0328 6 5 1 44.81 1.10 2.0228 1 4 3 44.97 1.53 2.0158 8 0 2 45.29 11.27 2.0024 5 2 3 45.38 6.00 1.9986 6 4 2 45.83 3.26 1.9799 8 4 0 46.19 4.88 1.9652 9 2 1 46.70 2.23 1.9452 6 1 3 46.74 4.08 1.9436 0 7 1 46.83 1.03 1.9401 5 5 2 46.88 3.34 1.9382 9 3 0 47.35 8.00 1.9197 3 7 0 47.48 1.13 1.9150 10 0 0 48.73 21.50 1.8687 0 0 4 49.43 1.17 1.8439 1 1 4 49.65 1.32 1.8363 4 6 2 49.77 1.38 1.8321 2 5 3 50.36 2.86 1.8120 6 3 3 51.26 7.91 1.7822 7 2 3 51.27 9.51 1.7818 5 7 0 51.36 2.15 1.7791 3 1 4 51.57 4.49 1.7724 8 5 1 51.81 4.77 1.7647 1 7 2 51.92 1.13 1.7613 0 8 0 52.29 1.32 1.7495 8 4 2 53.08 1.21 1.7254 10 3 1 53.24 1.64 1.7206 9 3 2 53.68 1.24 1.7076 3 7 2 54.79 2.02 1.6755 3 3 4 55.07 1.71 1.6677 5 1 4 55.50 3.36 1.6556 3 8 1 55.60 2.23 1.6529 4 8 0 55.68 3.67 1.6508 0 4 4 55.68 1.28 1.6508 3 6 3 55.76 1.65 1.6485 11 2 1 56.36 3.43 1.6324 11 3 0 56.78 4.24 1.6213 7 7 0 56.91 3.59 1.6181 9 0 3 57.17 4.59 1.6113 6 5 3 57.77 4.22 1.5958 12 0 0 58.35 2.10 1.5814 5 3 4 59.20 1.18 1.5606 4 4 4 59.20 1.70 1.5606 5 6 3 59.85 3.80 1.5453 2 7 3 60.34 1.28 1.5339 7 1 4 60.41 1.25 1.5323 0 9 1 60.93 1.52 1.5205 3 9 0 62.04 9.53 1.4959 11 3 2 62.74 1.92 1.4810 12 3 1 63.24 4.64 1.4704 9 4 3 63.45 4.10 1.4660 7 3 4 63.64 4.09 1.4622 9 7 0 63.77 1.81 1.4594 4 9 1 64.27 1.26 1.4494 7 6 3 64.50 1.27 1.4447 10 3 3 64.64 1.00 1.4418 8 2 4 65.03 2.60 1.4342 1 8 3 65.40 3.02 1.4271 11 0 3 65.48 5.56 1.4255 3 2 5 65.48 7.52 1.4255 6 8 2 65.53 2.88 1.4246 0 3 5 65.77 2.24 1.4198 4 1 5 65.83 3.23 1.4186 8 8 0 66.34 1.16 1.4091 2 3 5 66.34 4.91 1.4090 0 10 0 66.90 2.69 1.3987 11 2 3 67.22 1.24 1.3927 5 0 5 68.70 6.11 1.3662 5 2 5 68.76 1.72 1.3653 12 5 1 69.37 1.04 1.3548 12 4 2 69.79 1.13 1.3476 6 1 5 70.08 1.53 1.3428 14 2 0 70.30 1.07 1.3390 3 7 4 71.08 1.57 1.3263 8 8 2 71.43 2.13 1.3207 0 5 5 72.35 2.24 1.3061 2 10 2 73.43 2.28 1.2896 5 7 4 73.76 2.09 1.2845 14 0 2 74.54 2.14 1.2731 4 5 5 75.19 3.32 1.2637 14 2 2 76.74 7.34 1.2419 11 7 2 77.02 1.06 1.2381 4 8 4 77.44 1.29 1.2325 13 5 2 78.03 2.13 1.2246 7 7 4 78.08 1.53 1.2240 1 10 3 78.13 2.12 1.2232 9 0 5 78.36 2.02 1.2203 6 5 5 78.49 2.47 1.2186 6 10 2 78.82 1.25 1.2143 8 10 0 78.88 2.36 1.2136 12 0 4 79.53 1.01 1.2052 9 2 5 79.59 1.34 1.2045 3 10 3 79.65 1.36 1.2037 15 1 2 79.93 2.09 1.2002 0 7 5 80.72 1.25 1.1905 3 11 2 83.62 2.60 1.1563 8 5 5 83.76 1.19 1.1548 8 10 2 84.05 1.15 1.1516 9 7 4 86.51 2.26 1.1250 0 10 4 86.80 2.09 1.1220 3 8 5 88.65 1.73 1.1033 14 5 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.