Ferrierite-Mg Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070118 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: 19.1860 14.1280 7.4960 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: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 17 +/- 12 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 3.735779857 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.77 15.06 11.3764 1 1 0 9.22 100.00 9.5930 2 0 0 12.53 6.25 7.0640 0 2 0 12.68 13.96 6.9820 1 0 1 13.37 32.15 6.6217 0 1 1 15.21 26.18 5.8262 3 1 0 17.86 19.51 4.9658 1 2 1 18.23 2.23 4.8652 3 0 1 18.50 1.42 4.7965 4 0 0 19.41 5.10 4.5736 1 3 0 22.19 71.25 4.0068 3 2 1 22.29 23.75 3.9877 0 3 1 22.40 69.12 3.9682 4 2 0 22.89 40.58 3.8845 4 1 1 23.46 45.81 3.7921 3 3 0 23.74 16.20 3.7480 0 0 2 24.03 26.33 3.7030 5 1 0 25.01 69.11 3.5598 1 1 2 25.21 97.72 3.5320 0 4 0 25.52 88.63 3.4910 2 0 2 26.09 13.36 3.4157 5 0 1 26.90 19.09 3.3145 2 4 0 26.93 1.18 3.3108 0 2 2 27.90 4.57 3.1977 6 0 0 28.31 34.70 3.1521 3 1 2 28.32 4.81 3.1517 1 4 1 28.52 11.84 3.1297 2 2 2 29.04 34.88 3.0751 5 2 1 29.12 1.78 3.0664 4 3 1 30.04 35.37 2.9747 5 3 0 30.26 14.08 2.9533 4 0 2 30.69 1.56 2.9131 6 2 0 30.84 15.47 2.8989 1 3 2 31.06 2.82 2.8795 6 1 1 31.45 1.44 2.8441 4 4 0 32.87 17.70 2.7248 4 2 2 33.30 2.74 2.6907 7 1 0 33.90 17.11 2.6440 0 5 1 34.03 1.87 2.6342 5 1 2 34.71 8.81 2.5846 3 5 0 34.85 1.57 2.5742 7 0 1 34.90 5.40 2.5705 0 4 2 35.21 1.29 2.5490 2 5 1 36.18 2.68 2.4829 2 4 2 36.95 13.66 2.4326 6 0 2 37.17 4.21 2.4186 7 2 1 37.96 1.02 2.3705 6 4 0 37.98 18.10 2.3689 7 3 0 38.50 4.11 2.3381 1 2 3 38.89 7.19 2.3155 4 5 1 39.79 3.88 2.2656 4 4 2 39.98 2.61 2.2549 8 1 1 40.25 1.68 2.2408 1 5 2 40.43 1.01 2.2312 1 6 1 41.24 2.13 2.1892 4 1 3 42.00 5.23 2.1510 2 3 3 42.49 1.57 2.1277 3 5 2 42.66 2.78 2.1195 3 6 1 42.78 10.27 2.1137 4 6 0 42.90 2.49 2.1079 9 1 0 44.17 3.83 2.0505 9 0 1 44.46 1.80 2.0377 6 5 1 44.68 1.11 2.0284 1 4 3 44.87 1.54 2.0201 8 0 2 45.16 11.36 2.0075 5 2 3 45.26 6.05 2.0034 6 4 2 45.73 3.27 1.9841 8 4 0 46.09 4.90 1.9692 9 2 1 46.57 2.25 1.9500 6 1 3 46.60 4.11 1.9489 0 7 1 46.70 1.03 1.9449 5 5 2 46.78 3.35 1.9421 9 3 0 47.22 8.06 1.9247 3 7 0 47.38 1.14 1.9186 10 0 0 48.58 21.69 1.8740 0 0 4 49.28 1.18 1.8491 1 1 4 49.51 1.32 1.8411 4 6 2 49.62 1.39 1.8371 2 5 3 50.23 2.88 1.8165 6 3 3 51.13 7.96 1.7865 7 2 3 51.14 9.58 1.7863 5 7 0 51.21 2.18 1.7840 3 1 4 51.44 4.51 1.7764 8 5 1 51.66 4.81 1.7694 1 7 2 51.77 1.15 1.7660 0 8 0 52.16 1.33 1.7535 8 4 2 52.96 1.22 1.7289 10 3 1 53.11 1.64 1.7243 9 3 2 53.52 1.25 1.7121 3 7 2 54.63 2.03 1.6800 3 3 4 54.91 1.72 1.6721 5 1 4 55.34 3.39 1.6600 3 8 1 55.44 2.24 1.6572 4 8 0 55.51 3.70 1.6554 0 4 4 55.52 1.29 1.6553 3 6 3 55.65 1.65 1.6517 11 2 1 56.24 3.45 1.6356 11 3 0 56.63 4.26 1.6252 7 7 0 56.77 3.61 1.6217 9 0 3 57.01 4.61 1.6154 6 5 3 57.66 4.24 1.5988 12 0 0 58.18 2.11 1.5856 5 3 4 59.03 1.19 1.5648 4 4 4 59.04 1.71 1.5647 5 6 3 59.68 3.83 1.5495 2 7 3 60.17 1.29 1.5378 7 1 4 60.23 1.26 1.5364 0 9 1 60.75 1.53 1.5245 3 9 0 61.90 9.58 1.4991 11 3 2 62.60 1.93 1.4840 12 3 1 63.08 4.68 1.4738 9 4 3 63.27 4.13 1.4697 7 3 4 63.47 4.12 1.4656 9 7 0 63.59 1.82 1.4632 4 9 1 64.09 1.27 1.4530 7 6 3 64.33 1.28 1.4480 10 3 3 64.47 1.01 1.4454 8 2 4 64.83 2.63 1.4381 1 8 3 65.24 3.04 1.4302 11 0 3 65.27 5.60 1.4294 3 2 5 65.29 7.57 1.4291 6 8 2 65.32 2.90 1.4286 0 3 5 65.57 2.26 1.4236 4 1 5 65.66 3.26 1.4220 8 8 0 66.13 1.17 1.4130 2 3 5 66.14 4.95 1.4128 0 10 0 66.73 2.71 1.4018 11 2 3 67.02 1.25 1.3964 5 0 5 68.49 6.17 1.3699 5 2 5 68.59 1.73 1.3681 12 5 1 69.20 1.05 1.3576 12 4 2 69.58 1.14 1.3512 6 1 5 69.92 1.54 1.3453 14 2 0 70.08 1.08 1.3427 3 7 4 70.88 1.58 1.3296 8 8 2 71.20 2.15 1.3243 0 5 5 72.12 2.26 1.3096 2 10 2 73.20 2.30 1.2930 5 7 4 73.59 2.10 1.2871 14 0 2 74.30 2.16 1.2766 4 5 5 75.01 3.34 1.2662 14 2 2 76.53 7.40 1.2448 11 7 2 76.78 1.07 1.2414 4 8 4 77.24 1.30 1.2351 13 5 2 77.79 2.15 1.2278 7 7 4 77.83 1.55 1.2273 1 10 3 77.90 2.14 1.2263 9 0 5 78.11 2.03 1.2236 6 5 5 78.25 2.49 1.2217 6 10 2 78.59 1.26 1.2173 8 10 0 78.66 2.38 1.2163 12 0 4 79.29 1.02 1.2082 9 2 5 79.34 1.35 1.2077 3 10 3 79.46 1.37 1.2061 15 1 2 79.67 2.10 1.2035 0 7 5 80.46 1.26 1.1937 3 11 2 83.36 2.62 1.1593 8 5 5 83.50 1.20 1.1578 8 10 2 83.79 1.16 1.1545 9 7 4 86.21 2.27 1.1281 0 10 4 86.50 2.11 1.1251 3 8 5 88.40 1.74 1.1057 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.