Phillipsite-Na Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070271 Steinfink H Acta Crystallographica 15 (1962) 644-651 The crystal structure of the zeolite, phillipsite Locality: pelagic sediments of the Pacific Ocean CELL PARAMETERS: 10.0130 14.2810 14.2150 90.000 90.000 90.000 SPACE GROUP: B2mb ATOM X Y Z OCCUPANCY ISO(B) Na 0.00540 0.25000 0.86000 0.500 3.500 Na 0.38710 0.12420 -0.00010 0.750 5.500 K 0.00540 0.25000 0.86000 0.500 3.500 Al 0.15170 0.01650 0.89200 0.310 2.000 Si 0.15170 0.01650 0.89200 0.690 2.000 Al 0.83400 0.01700 0.89030 0.310 2.000 Si 0.83400 0.01700 0.89030 0.690 2.000 Al 0.33560 0.86100 0.23760 0.310 2.100 Si 0.33560 0.86100 0.23760 0.690 2.100 Al 0.64770 0.85970 0.23660 0.310 2.000 Si 0.64770 0.85970 0.23660 0.690 2.000 O 0.81590 0.08540 0.15990 1.000 2.800 O 0.76590 0.10270 0.84350 1.000 3.600 O 0.25190 0.10120 0.85140 1.000 3.200 O 0.18150 0.07730 0.17170 1.000 2.400 O 0.99960 0.04690 0.88720 1.000 2.700 O 0.50350 0.87510 0.20290 1.000 3.000 O 0.19450 0.00000 0.00000 1.000 2.000 O 0.78600 0.00000 0.00000 1.000 3.000 O 0.31870 0.25000 0.73850 1.000 3.200 O 0.69720 0.25000 0.74910 1.000 4.300 Wa 0.53560 0.25000 0.98480 1.000 6.600 Wa 0.62020 0.13770 0.03790 0.500 5.200 Wa 0.50300 0.12670 0.15720 0.500 6.600 Wa 0.38710 0.12420 -0.00010 0.250 5.500 Wa 0.20000 0.25000 0.02610 0.500 1.900 Wa 0.82050 0.25000 0.02630 0.500 3.400 Wa 0.53680 0.25000 0.81070 0.500 6.600 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 13 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 3.732715844 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.81 14.24 8.1860 1 0 1 12.40 50.20 7.1405 0 2 0 12.45 48.83 7.1075 0 0 2 12.46 88.30 7.1020 1 1 1 13.92 49.21 6.3630 0 1 2 16.47 100.00 5.3810 1 2 1 17.61 21.00 5.0374 0 2 2 17.72 36.96 5.0065 2 0 0 20.74 27.69 4.2830 1 0 3 21.59 6.51 4.1151 1 3 1 21.66 80.08 4.1025 1 1 3 21.68 34.02 4.0993 2 2 0 21.71 6.81 4.0930 2 0 2 22.48 3.23 3.9552 0 3 2 22.60 4.84 3.9346 2 1 2 24.23 1.54 3.6729 1 2 3 24.94 2.08 3.5703 0 4 0 25.08 6.18 3.5510 2 2 2 25.83 8.55 3.4486 0 1 4 27.25 63.16 3.2725 1 4 1 27.45 24.56 3.2493 3 0 1 27.97 43.08 3.1904 0 4 2 28.02 16.09 3.1840 1 3 3 28.05 56.33 3.1815 0 2 4 28.17 62.80 3.1683 3 1 1 28.77 11.01 3.1035 2 3 2 30.22 23.21 2.9575 3 2 1 30.76 2.79 2.9068 2 4 0 30.86 1.01 2.8979 2 0 4 32.65 7.05 2.7424 1 4 3 32.75 37.56 2.7349 1 0 5 32.82 6.88 2.7287 3 0 3 33.22 16.72 2.6968 1 5 1 33.30 9.82 2.6905 2 4 2 33.36 17.93 2.6861 1 1 5 33.37 8.70 2.6852 2 2 4 33.39 2.50 2.6837 3 3 1 33.43 11.99 2.6802 3 1 3 33.82 5.20 2.6502 0 5 2 35.14 2.30 2.5540 1 2 5 35.21 15.25 2.5489 3 2 3 35.65 13.00 2.5187 0 4 4 35.87 1.41 2.5032 4 0 0 37.42 18.07 2.4031 3 4 1 37.98 1.07 2.3692 0 0 6 38.01 2.71 2.3673 3 3 3 38.09 1.95 2.3623 4 2 0 38.43 8.70 2.3423 2 5 2 38.65 6.13 2.3295 4 1 2 39.95 1.11 2.2570 0 6 2 40.07 4.34 2.2500 2 4 4 40.52 5.00 2.2263 0 5 4 41.66 12.49 2.1680 3 4 3 42.12 1.25 2.1452 3 5 1 42.23 1.42 2.1398 3 1 5 43.50 1.90 2.0805 1 6 3 43.70 5.01 2.0712 3 2 5 44.01 2.33 2.0576 2 6 2 44.15 6.99 2.0512 2 2 6 44.26 5.99 2.0465 4 0 4 45.58 1.90 1.9902 1 0 7 45.75 9.31 1.9830 5 0 1 45.84 2.93 1.9796 1 7 1 46.00 3.00 1.9730 3 5 3 46.09 1.22 1.9694 4 4 2 46.14 4.12 1.9673 4 2 4 46.22 1.37 1.9642 5 1 1 47.34 1.17 1.9201 3 6 1 47.59 1.62 1.9107 5 2 1 49.23 1.21 1.8508 3 4 5 49.64 1.78 1.8365 2 4 6 49.85 1.77 1.8294 5 1 3 50.02 6.20 1.8235 0 5 6 51.17 13.05 1.7851 0 8 0 51.43 7.61 1.7769 0 0 8 51.47 15.69 1.7755 4 4 4 51.66 1.73 1.7693 0 7 4 51.85 1.27 1.7633 0 1 8 52.77 1.10 1.7348 3 0 7 53.00 3.15 1.7278 3 7 1 53.09 3.02 1.7250 3 5 5 53.09 5.95 1.7249 4 6 0 53.18 2.46 1.7222 3 1 7 53.23 4.51 1.7207 4 0 6 54.66 5.43 1.6791 0 6 6 54.82 1.22 1.6745 2 0 8 55.03 8.25 1.6688 6 0 0 55.17 2.25 1.6647 0 3 8 56.34 6.10 1.6329 1 5 7 56.58 2.39 1.6266 5 1 5 56.64 1.11 1.6250 6 2 0 56.66 2.76 1.6247 6 0 2 57.56 7.01 1.6013 3 6 5 57.80 2.00 1.5952 0 8 4 59.04 1.50 1.5646 3 8 1 59.58 1.05 1.5518 4 6 4 59.71 3.13 1.5487 0 9 2 59.92 2.47 1.5437 4 7 2 60.77 1.75 1.5242 1 2 9 62.09 2.58 1.4949 1 8 5 62.41 4.69 1.4879 1 9 3 62.65 4.08 1.4828 3 5 7 62.84 4.70 1.4787 6 4 2 62.89 3.46 1.4779 6 2 4 63.84 1.23 1.4580 5 6 3 64.66 1.01 1.4416 4 1 8 65.27 3.46 1.4296 1 4 9 65.46 1.50 1.4259 5 0 7 65.73 2.97 1.4206 3 1 9 66.83 1.11 1.4000 3 2 9 67.14 1.83 1.3941 0 2 10 67.30 5.33 1.3912 6 4 4 68.35 2.50 1.3725 1 9 5 68.39 4.43 1.3717 3 9 3 68.42 1.17 1.3712 2 8 6 68.81 1.71 1.3643 6 0 6 68.88 1.55 1.3631 7 1 3 71.12 6.13 1.3256 3 4 9 71.15 1.52 1.3251 0 10 4 71.34 1.02 1.3221 7 4 1 71.43 1.89 1.3207 0 4 10 72.27 1.01 1.3074 3 10 1 74.00 1.77 1.2810 2 10 4 74.09 2.18 1.2797 3 9 5 74.16 1.90 1.2786 7 4 3 74.22 2.20 1.2778 7 0 5 74.27 1.89 1.2770 2 4 10 74.48 2.87 1.2739 7 5 1 74.69 1.29 1.2709 6 7 2 75.49 1.80 1.2593 0 8 8 75.60 1.20 1.2578 7 2 5 76.97 1.26 1.2389 4 8 6 77.07 1.11 1.2375 2 11 2 77.54 2.12 1.2311 6 5 6 78.45 1.09 1.2191 6 8 0 78.65 1.02 1.2164 6 0 8 79.50 1.97 1.2056 3 11 1 79.54 1.19 1.2051 3 0 11 81.70 1.59 1.1786 6 3 8 85.55 1.86 1.1352 6 9 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.