Merlinoite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130095 Galli E, Gottardi G, Pongiluppi D Neues Jahrbuch fur Mineralogie, Monatshefte 1979 (1979) 1-9 The crystal structure of the zeolite merlinoite Locality: in a vug of a lava from Cupaello, Rieti, Italy _database_code_amcsd 0014759 CELL PARAMETERS: 14.2293 14.2330 9.9660 90.000 90.000 90.000 SPACE GROUP: Immm ATOM X Y Z OCCUPANCY ISO(B) K 0.15600 0.50000 0.00000 0.420 3.800 Ba 0.15600 0.50000 0.00000 0.040 3.800 K 0.50000 0.19200 0.00000 0.410 3.800 Ba 0.50000 0.19200 0.00000 0.040 3.800 Ca 0.50000 0.50000 0.27500 0.150 12.000 K 0.50000 0.50000 0.27500 0.090 12.000 Na 0.50000 0.50000 0.27500 0.050 12.000 Ba 0.50000 0.50000 0.27500 0.010 12.000 Ca 0.39000 0.36300 0.00000 0.060 12.000 K 0.39000 0.36300 0.00000 0.040 12.000 Na 0.39000 0.36300 0.00000 0.010 12.000 Ba 0.39000 0.36300 0.00000 0.010 12.000 Ca 0.33300 0.38000 0.00000 0.100 12.000 K 0.33300 0.38000 0.00000 0.060 12.000 Na 0.33300 0.38000 0.00000 0.030 12.000 Ba 0.33300 0.38000 0.00000 0.010 12.000 Al 0.10970 0.24730 0.15630 0.290 1.000 Si 0.10970 0.24730 0.15630 0.710 1.000 Al 0.28160 0.11020 0.15960 0.290 1.000 Si 0.28160 0.11020 0.15960 0.710 1.000 O 0.12350 0.28300 0.00000 1.000 1.800 O 0.30890 0.11770 0.00000 1.000 1.500 O 0.00000 0.21550 0.18390 1.000 1.800 O 0.27670 0.00000 0.20960 1.000 1.900 O 0.17650 0.15680 0.19240 1.000 2.300 O 0.36610 0.16380 0.24540 1.000 2.600 Wa 0.50000 0.00000 0.00000 1.000 6.800 Wa 0.00000 0.50000 0.15800 1.000 4.900 Wa 0.38500 0.50000 0.15900 0.600 9.800 Wa 0.50000 0.50000 0.00000 0.200 3.700 Wa 0.45900 0.27400 0.00000 0.200 5.800 Wa 0.25100 0.46400 0.00000 0.210 3.600 Wa 0.44600 0.42000 0.06200 0.200 11.200 Wa 0.44300 0.50000 0.50000 0.440 12.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 13 +/- 13 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 4.962061529 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.79 7.36 10.0629 1 1 0 10.84 13.28 8.1637 0 1 1 10.84 6.68 8.1630 1 0 1 12.44 35.38 7.1165 0 2 0 12.44 34.21 7.1146 2 0 0 16.53 44.39 5.3642 1 2 1 16.53 31.50 5.3636 2 1 1 17.63 19.42 5.0315 2 2 0 17.80 24.86 4.9830 0 0 2 19.73 16.44 4.4998 3 1 0 20.74 24.71 4.2837 0 3 1 21.77 7.21 4.0818 0 2 2 21.78 11.79 4.0815 2 0 2 24.25 5.93 3.6698 2 3 1 24.25 18.53 3.6695 3 2 1 25.03 2.22 3.5582 0 4 0 25.03 2.23 3.5573 4 0 0 26.57 1.67 3.3543 3 3 0 27.34 32.53 3.2618 1 4 1 27.35 16.31 3.2612 4 1 1 27.57 21.05 3.2351 0 1 3 27.57 30.69 3.2350 1 0 3 28.04 57.58 3.1824 2 4 0 28.04 42.42 3.1819 4 2 0 30.35 32.03 2.9450 1 2 3 30.35 45.73 2.9449 2 1 3 32.07 12.32 2.7906 5 1 0 32.17 1.83 2.7826 3 3 2 32.72 4.83 2.7371 0 5 1 32.72 18.86 2.7369 3 4 1 32.72 2.79 2.7367 4 3 1 32.73 17.85 2.7365 5 0 1 32.91 15.74 2.7212 0 3 3 32.92 3.81 2.7210 3 0 3 33.41 2.51 2.6821 2 4 2 33.41 7.76 2.6818 4 2 2 35.13 14.54 2.5546 2 5 1 35.14 6.99 2.5542 5 2 1 35.31 9.70 2.5416 3 2 3 35.69 4.14 2.5157 4 4 0 36.05 1.43 2.4915 0 0 4 36.83 4.02 2.4405 5 3 0 36.91 5.13 2.4353 1 5 2 37.58 6.51 2.3936 1 4 3 37.58 1.52 2.3934 4 1 3 37.94 1.11 2.3715 6 0 0 41.19 6.60 2.1917 5 3 2 41.42 2.35 2.1798 1 3 4 41.43 1.68 2.1797 3 1 4 41.79 3.52 2.1614 3 4 3 42.19 1.10 2.1419 0 6 2 43.62 2.11 2.0748 6 3 1 43.78 1.13 2.0680 5 2 3 44.16 1.30 2.0509 2 6 2 45.05 2.78 2.0126 5 5 0 45.05 1.15 2.0123 7 1 0 45.54 3.85 1.9917 7 0 1 45.98 2.22 1.9739 0 1 5 46.28 2.13 1.9618 2 4 4 47.53 1.53 1.9130 1 6 3 47.82 1.04 1.9021 2 1 5 48.81 1.88 1.8659 7 1 2 49.01 1.99 1.8587 1 5 4 49.33 4.20 1.8473 4 5 3 49.61 1.67 1.8376 0 3 5 50.95 4.70 1.7924 5 6 1 51.36 7.33 1.7791 0 8 0 51.37 2.67 1.7787 8 0 0 51.63 9.06 1.7703 4 4 4 52.48 2.50 1.7435 3 5 4 52.80 4.56 1.7339 7 0 3 53.06 1.40 1.7260 4 1 5 53.06 1.53 1.7260 2 8 0 53.07 1.85 1.7256 8 2 0 53.32 6.50 1.7180 0 6 4 53.33 2.90 1.7178 6 0 4 54.46 3.10 1.6849 2 7 3 54.73 4.22 1.6772 6 6 0 55.31 9.35 1.6610 0 0 6 55.55 3.14 1.6543 7 5 0 57.70 9.54 1.5976 5 6 3 57.97 4.72 1.5910 8 4 0 58.76 2.37 1.5714 9 1 0 59.00 1.26 1.5655 7 1 4 59.28 1.05 1.5589 1 8 3 59.78 1.14 1.5470 4 6 4 60.72 2.57 1.5252 9 2 1 61.84 1.68 1.5003 3 9 0 62.09 1.75 1.4948 7 3 4 62.24 2.14 1.4916 5 8 1 63.14 5.66 1.4725 2 4 6 63.14 1.49 1.4725 4 2 6 64.11 1.42 1.4526 6 3 5 64.34 1.09 1.4479 0 8 4 65.24 1.38 1.4301 4 9 1 65.25 2.26 1.4299 9 4 1 65.35 1.36 1.4279 0 9 3 65.38 2.17 1.4273 5 1 6 65.61 1.36 1.4229 10 0 0 66.84 2.30 1.3997 9 2 3 67.58 5.05 1.3861 4 4 6 67.79 2.32 1.3823 5 9 0 68.28 3.82 1.3736 5 8 3 69.03 1.61 1.3606 0 6 6 71.16 8.06 1.3249 9 4 3 71.38 3.45 1.3215 4 10 0 71.71 1.65 1.3162 1 4 7 72.56 1.09 1.3028 1 10 3 74.25 1.84 1.2773 4 10 2 74.52 1.34 1.2733 0 5 7 74.52 2.81 1.2733 3 4 7 74.52 2.51 1.2733 5 0 7 75.36 3.84 1.2612 3 10 3 75.91 1.36 1.2534 2 5 7 75.92 1.83 1.2534 5 2 7 76.29 1.33 1.2482 7 9 0 76.78 1.21 1.2414 7 3 6 78.83 2.51 1.2141 0 8 6 79.09 1.29 1.2108 7 9 2 79.26 1.06 1.2086 9 5 4 79.52 2.70 1.2054 11 0 3 82.25 1.35 1.1721 7 5 6 84.29 2.03 1.1489 8 4 6 86.81 1.24 1.1219 5 6 7 87.65 1.33 1.1133 3 9 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.