Ferrierite-Mg Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070119 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: 19.1760 14.1180 7.4900 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: 3.746802669 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.78 15.06 11.3691 1 1 0 9.22 100.00 9.5880 2 0 0 12.54 6.25 7.0590 0 2 0 12.69 13.96 6.9767 1 0 1 13.38 32.12 6.6165 0 1 1 15.22 26.18 5.8230 3 1 0 17.88 19.49 4.9621 1 2 1 18.25 2.23 4.8621 3 0 1 18.51 1.42 4.7940 4 0 0 19.42 5.10 4.5704 1 3 0 22.20 71.20 4.0042 3 2 1 22.31 23.73 3.9848 0 3 1 22.42 69.08 3.9659 4 2 0 22.91 40.56 3.8821 4 1 1 23.47 45.77 3.7897 3 3 0 23.76 16.18 3.7450 0 0 2 24.05 26.31 3.7011 5 1 0 25.03 69.01 3.5570 1 1 2 25.23 97.63 3.5295 0 4 0 25.54 88.53 3.4883 2 0 2 26.10 13.35 3.4137 5 0 1 26.92 19.06 3.3122 2 4 0 26.95 1.18 3.3083 0 2 2 27.92 4.56 3.1960 6 0 0 28.33 34.67 3.1498 3 1 2 28.34 4.80 3.1494 1 4 1 28.54 11.83 3.1273 2 2 2 29.06 34.85 3.0732 5 2 1 29.14 1.78 3.0644 4 3 1 30.06 35.34 2.9730 5 3 0 30.28 14.06 2.9512 4 0 2 30.71 1.56 2.9115 6 2 0 30.87 15.45 2.8967 1 3 2 31.08 2.81 2.8779 6 1 1 31.48 1.44 2.8423 4 4 0 32.89 17.67 2.7229 4 2 2 33.32 2.74 2.6893 7 1 0 33.93 17.08 2.6421 0 5 1 34.06 1.87 2.6324 5 1 2 34.73 8.80 2.5828 3 5 0 34.87 1.57 2.5728 7 0 1 34.93 5.39 2.5685 0 4 2 35.23 1.29 2.5472 2 5 1 36.21 2.68 2.4811 2 4 2 36.98 13.65 2.4311 6 0 2 37.20 4.20 2.4172 7 2 1 37.98 1.01 2.3691 6 4 0 38.01 18.09 2.3675 7 3 0 38.54 4.11 2.3362 1 2 3 38.92 7.18 2.3139 4 5 1 39.82 3.88 2.2641 4 4 2 40.01 2.61 2.2537 8 1 1 40.28 1.68 2.2392 1 5 2 40.46 1.00 2.2296 1 6 1 41.27 2.13 2.1876 4 1 3 42.04 5.23 2.1494 2 3 3 42.52 1.57 2.1262 3 5 2 42.69 2.78 2.1180 3 6 1 42.81 10.25 2.1123 4 6 0 42.93 2.48 2.1068 9 1 0 44.19 3.82 2.0494 9 0 1 44.49 1.80 2.0364 6 5 1 44.71 1.11 2.0268 1 4 3 44.90 1.54 2.0189 8 0 2 45.20 11.34 2.0061 5 2 3 45.29 6.04 2.0021 6 4 2 45.76 3.27 1.9829 8 4 0 46.12 4.90 1.9681 9 2 1 46.61 2.24 1.9487 6 1 3 46.64 4.10 1.9475 0 7 1 46.74 1.03 1.9436 5 5 2 46.80 3.35 1.9410 9 3 0 47.26 8.04 1.9234 3 7 0 47.41 1.14 1.9176 10 0 0 48.62 21.63 1.8725 0 0 4 49.32 1.17 1.8476 1 1 4 49.55 1.32 1.8398 4 6 2 49.66 1.39 1.8358 2 5 3 50.26 2.87 1.8152 6 3 3 51.17 7.95 1.7853 7 2 3 51.17 9.56 1.7851 5 7 0 51.25 2.17 1.7826 3 1 4 51.48 4.50 1.7753 8 5 1 51.70 4.80 1.7682 1 7 2 51.81 1.14 1.7648 0 8 0 52.20 1.32 1.7524 8 4 2 52.99 1.21 1.7279 10 3 1 53.15 1.64 1.7233 9 3 2 53.56 1.25 1.7109 3 7 2 54.67 2.03 1.6788 3 3 4 54.95 1.72 1.6708 5 1 4 55.39 3.38 1.6589 3 8 1 55.49 2.24 1.6561 4 8 0 55.56 3.69 1.6541 0 4 4 55.56 1.28 1.6540 3 6 3 55.68 1.65 1.6508 11 2 1 56.28 3.44 1.6347 11 3 0 56.67 4.26 1.6242 7 7 0 56.81 3.60 1.6207 9 0 3 57.05 4.61 1.6143 6 5 3 57.69 4.23 1.5980 12 0 0 58.23 2.11 1.5844 5 3 4 59.08 1.19 1.5637 4 4 4 59.08 1.71 1.5636 5 6 3 59.72 3.82 1.5483 2 7 3 60.22 1.29 1.5367 7 1 4 60.28 1.26 1.5354 0 9 1 60.80 1.53 1.5235 3 9 0 61.94 9.56 1.4982 11 3 2 62.63 1.93 1.4832 12 3 1 63.12 4.67 1.4729 9 4 3 63.32 4.12 1.4687 7 3 4 63.52 4.11 1.4647 9 7 0 63.64 1.82 1.4622 4 9 1 64.14 1.27 1.4520 7 6 3 64.38 1.28 1.4471 10 3 3 64.52 1.01 1.4444 8 2 4 64.89 2.62 1.4370 1 8 3 65.28 3.03 1.4293 11 0 3 65.33 5.59 1.4283 3 2 5 65.34 7.56 1.4281 6 8 2 65.38 2.89 1.4274 0 3 5 65.63 2.26 1.4225 4 1 5 65.70 3.25 1.4211 8 8 0 66.19 1.17 1.4119 2 3 5 66.19 4.94 1.4118 0 10 0 66.78 2.70 1.4009 11 2 3 67.08 1.25 1.3953 5 0 5 68.55 6.15 1.3689 5 2 5 68.64 1.73 1.3674 12 5 1 69.25 1.04 1.3568 12 4 2 69.64 1.13 1.3502 6 1 5 69.97 1.53 1.3446 14 2 0 70.14 1.08 1.3417 3 7 4 70.93 1.58 1.3287 8 8 2 71.26 2.14 1.3233 0 5 5 72.18 2.25 1.3087 2 10 2 73.26 2.29 1.2920 5 7 4 73.64 2.10 1.2864 14 0 2 74.37 2.15 1.2756 4 5 5 75.06 3.33 1.2655 14 2 2 76.59 7.38 1.2440 11 7 2 76.84 1.06 1.2405 4 8 4 77.30 1.30 1.2344 13 5 2 77.85 2.14 1.2269 7 7 4 77.89 1.54 1.2264 1 10 3 77.97 2.14 1.2254 9 0 5 78.18 2.03 1.2226 6 5 5 78.31 2.49 1.2209 6 10 2 78.65 1.26 1.2165 8 10 0 78.72 2.37 1.2155 12 0 4 79.36 1.02 1.2074 9 2 5 79.40 1.35 1.2068 3 10 3 79.51 1.37 1.2054 15 1 2 79.74 2.10 1.2026 0 7 5 80.53 1.26 1.1928 3 11 2 83.43 2.61 1.1585 8 5 5 83.57 1.20 1.1570 8 10 2 83.86 1.16 1.1537 9 7 4 86.29 2.27 1.1273 0 10 4 86.59 2.10 1.1242 3 8 5 88.47 1.74 1.1051 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.