Monteregianite-(Y) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130052 Ghose S, Sen Gupta P K, Campana C F American Mineralogist 72 (1987) 365-374 Symmetry and crystal structure of monteregianite, Na4K2Y2Si16O38.10H2O, a double-sheet silicate with zeolitic properties Note: Several bond lengths cannot be reproduced with this data, but the authors no longer have the original data, so they cannot check _database_code_amcsd 0001072 CELL PARAMETERS: 9.5810 23.8170 9.5800 90.000 93.697 90.000 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) K 0.06850 0.24880 0.57020 0.620 3.311 K 0.54100 0.24780 0.04700 0.380 2.817 Na 0.37130 0.49910 0.63120 0.950 1.423 Na 0.50000 0.50000 0.00000 0.470 1.433 Na 0.00000 0.50000 0.50000 0.450 1.365 Y -0.25645 0.49845 0.74445 1.000 0.342 Si -0.26610 0.18159 0.73440 1.000 0.566 Si -0.49720 0.38752 0.22880 1.000 0.582 Si 0.22750 0.38831 -0.49310 1.000 0.615 Si -0.45480 0.38870 0.55240 1.000 0.609 Si -0.25530 0.31464 0.74650 1.000 0.532 Si 0.22690 0.11133 -0.49530 1.000 0.638 Si 0.49790 0.11160 0.22460 1.000 0.648 Si -0.45210 0.10614 0.55190 1.000 0.654 O -0.25880 0.24810 0.73580 1.000 1.204 O -0.61830 0.34140 0.18820 1.000 1.206 O 0.20290 0.33840 -0.60970 1.000 1.618 O -0.39070 0.16460 0.62300 1.000 1.490 O 0.12640 0.12770 -0.37110 1.000 0.945 O -0.37690 0.12720 0.12740 1.000 0.979 O -0.43490 0.37180 0.38910 1.000 1.325 O 0.38270 0.37980 -0.41760 1.000 1.629 O 0.45170 0.45010 0.21760 1.000 1.207 O 0.21100 0.44910 0.44650 1.000 1.379 O -0.40380 0.44940 0.58920 1.000 1.214 O -0.37580 0.33900 0.64280 1.000 1.593 O -0.27570 0.33200 0.90630 1.000 1.510 O 0.89340 0.33430 -0.29890 1.000 1.908 O -0.43790 0.11550 0.38520 1.000 2.119 O 0.38430 0.10670 -0.41850 1.000 1.396 O 0.68290 0.44280 -0.07990 1.000 1.210 O -0.07780 0.44500 0.68890 1.000 1.530 O -0.37040 0.05400 0.61130 1.000 2.122 O 0.84280 0.44800 0.34430 1.000 4.631 O 0.32380 0.45210 0.85700 1.000 4.011 O 0.62200 0.24920 0.35900 0.950 4.654 O 0.89100 0.18700 0.35600 0.460 8.306 O 0.38300 0.18200 0.86500 0.350 6.031 O 0.63300 0.75000 -0.61000 0.370 6.974 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 21 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 7.732294087 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.42 62.74 11.9085 0 2 0 9.97 3.38 8.8728 1 1 0 9.97 2.96 8.8720 0 1 1 12.66 100.00 6.9894 -1 0 1 13.51 41.07 6.5524 1 0 1 14.02 41.69 6.3177 1 1 1 14.50 1.61 6.1079 1 3 0 14.50 1.52 6.1076 0 3 1 14.70 11.37 6.0279 -1 2 1 14.88 18.65 5.9542 0 4 0 17.55 14.46 5.0535 1 3 1 18.56 6.38 4.7805 2 0 0 18.56 7.34 4.7800 0 0 2 18.93 19.53 4.6870 2 1 0 18.94 16.54 4.6866 0 1 2 20.01 2.80 4.4364 2 2 0 20.02 1.40 4.4360 0 2 2 20.15 43.46 4.4066 1 4 1 21.70 4.13 4.0951 0 3 2 22.40 1.31 3.9695 0 6 0 23.08 2.83 3.8529 1 5 1 23.87 17.62 3.7277 2 4 0 23.87 15.44 3.7275 0 4 2 25.49 4.46 3.4947 -2 0 2 25.81 21.49 3.4517 -1 6 1 26.25 26.64 3.3951 1 6 1 26.42 1.21 3.3741 0 5 2 27.22 1.69 3.2762 2 0 2 27.48 12.35 3.2456 2 1 2 27.83 1.27 3.2055 1 7 0 27.83 1.17 3.2055 0 7 1 28.95 4.63 3.0837 -3 0 1 28.96 5.69 3.0834 -1 0 3 29.20 15.42 3.0582 -3 1 1 29.20 15.45 3.0579 -1 1 3 29.24 20.99 3.0539 2 6 0 29.24 22.88 3.0538 0 6 2 29.49 7.32 3.0285 2 3 2 29.58 16.61 3.0196 1 7 1 29.64 19.44 3.0139 -2 4 2 30.02 12.18 2.9771 0 8 0 30.12 13.99 2.9666 3 0 1 30.13 12.99 2.9664 1 0 3 31.11 24.45 2.8745 -3 3 1 31.12 24.83 2.8742 -1 3 3 31.16 23.40 2.8704 2 4 2 32.21 1.52 2.7789 3 3 1 32.21 4.86 2.7787 1 3 3 32.29 3.29 2.7720 2 7 0 32.30 3.69 2.7719 0 7 2 32.70 20.31 2.7383 -3 4 1 32.71 16.80 2.7381 -1 4 3 33.05 2.03 2.7105 1 8 1 33.19 2.08 2.6994 2 5 2 34.18 6.27 2.6230 -2 6 2 35.52 1.37 2.5271 2 8 0 35.53 8.77 2.5267 2 6 2 35.65 2.04 2.5182 3 5 1 36.62 1.64 2.4538 1 9 1 36.91 4.63 2.4352 -3 6 1 36.91 4.37 2.4351 -1 6 3 37.63 1.96 2.3903 4 0 0 37.86 2.08 2.3763 3 6 1 37.86 1.61 2.3762 1 6 3 38.42 1.02 2.3433 0 2 4 38.65 1.38 2.3298 -3 0 3 38.90 1.05 2.3153 2 9 0 39.41 2.10 2.2865 -3 2 3 39.99 3.99 2.2544 -1 10 1 40.96 2.32 2.2033 2 8 2 41.30 2.37 2.1860 -4 1 2 41.30 2.32 2.1858 -2 1 4 41.84 1.44 2.1589 -4 2 2 42.19 6.15 2.1418 -3 8 1 42.19 7.50 2.1417 -1 8 3 42.95 1.78 2.1059 3 3 3 43.04 2.91 2.1014 3 8 1 43.05 2.78 2.1013 1 8 3 43.40 2.06 2.0848 4 0 2 43.41 2.69 2.0847 2 0 4 43.96 1.30 2.0597 -4 4 2 44.05 1.27 2.0558 1 11 1 44.17 2.83 2.0505 3 4 3 46.13 1.91 1.9677 4 4 2 46.14 1.55 1.9675 2 4 4 46.43 2.29 1.9559 4 7 0 46.43 3.23 1.9557 0 7 4 47.18 2.42 1.9264 2 10 2 47.32 1.42 1.9210 -4 6 2 47.32 2.14 1.9210 -2 6 4 47.51 3.40 1.9136 3 6 3 47.63 2.24 1.9093 -1 12 1 47.89 5.79 1.8995 1 12 1 48.28 2.78 1.8849 -3 10 1 48.28 2.77 1.8849 -1 10 3 48.86 1.88 1.8639 4 8 0 48.87 1.54 1.8637 0 8 4 49.05 3.07 1.8572 3 10 1 49.05 3.23 1.8572 1 10 3 49.19 7.83 1.8522 5 0 1 49.20 8.49 1.8521 1 0 5 49.35 1.46 1.8467 -5 3 1 49.35 1.17 1.8465 -1 3 5 49.60 5.14 1.8380 3 7 3 49.74 2.43 1.8330 2 12 0 49.74 2.09 1.8330 0 12 2 49.82 2.66 1.8302 5 2 1 49.83 2.91 1.8301 1 2 5 50.45 2.47 1.8090 -5 4 1 50.45 4.02 1.8088 -1 4 5 52.36 15.61 1.7474 -4 0 4 52.96 1.34 1.7288 -4 2 4 53.06 2.59 1.7258 -2 12 2 53.50 1.30 1.7129 -5 6 1 53.50 1.29 1.7128 -1 6 5 53.89 1.84 1.7012 0 14 0 54.02 5.53 1.6975 2 12 2 54.34 1.04 1.6884 -5 0 3 54.34 1.09 1.6883 -3 0 5 54.38 5.44 1.6871 4 10 0 54.38 5.58 1.6870 0 10 4 54.68 1.00 1.6785 5 6 1 54.69 1.07 1.6784 1 6 5 55.02 3.51 1.6689 -3 12 1 55.02 3.03 1.6689 -1 12 3 55.15 4.53 1.6655 -3 10 3 55.41 1.23 1.6581 -5 7 1 55.42 1.08 1.6579 -1 7 5 56.15 2.47 1.6381 4 0 4 56.67 1.56 1.6244 -5 4 3 56.67 1.45 1.6243 -3 4 5 57.06 1.18 1.6142 -4 10 2 57.06 1.72 1.6141 -2 10 4 57.87 1.52 1.5935 6 0 0 57.87 1.64 1.5933 0 0 6 58.01 1.31 1.5900 6 1 0 58.01 1.38 1.5898 0 1 6 59.50 1.29 1.5536 -3 6 5 60.05 2.21 1.5406 5 4 3 60.06 2.12 1.5405 3 4 5 60.18 4.31 1.5377 3 11 3 61.21 1.29 1.5142 4 6 4 61.41 1.01 1.5098 2 14 2 61.54 1.80 1.5070 -4 8 4 62.19 3.41 1.4926 -6 4 2 62.20 3.21 1.4925 -2 4 6 62.38 2.66 1.4886 0 16 0 62.79 1.02 1.4799 3 6 5 63.64 1.00 1.4621 5 10 1 64.77 1.32 1.4393 6 4 2 64.78 1.48 1.4392 2 4 6 64.88 1.14 1.4372 -6 6 2 64.88 1.60 1.4371 -2 6 6 64.98 1.80 1.4352 4 8 4 65.37 1.31 1.4276 -5 11 1 66.20 1.31 1.4117 -3 15 1 66.20 1.30 1.4116 -1 15 3 67.40 2.57 1.3895 6 6 2 67.40 2.89 1.3894 2 6 6 69.08 1.15 1.3597 6 7 2 69.08 1.22 1.3596 2 7 6 69.67 1.99 1.3497 4 10 4 70.21 2.11 1.3405 -3 16 1 70.21 1.95 1.3405 -1 16 3 70.70 1.16 1.3325 -6 4 4 70.82 1.50 1.3305 3 16 1 70.82 1.23 1.3304 1 16 3 71.27 2.61 1.3232 0 18 0 71.56 1.27 1.3185 -5 6 5 72.74 1.10 1.3001 -1 18 1 73.22 1.36 1.2926 -6 6 4 73.23 1.82 1.2926 -4 6 6 73.37 1.04 1.2904 -7 6 1 73.68 1.26 1.2858 -7 0 3 73.68 1.56 1.2857 -3 0 7 74.37 1.05 1.2755 -3 17 1 74.37 1.43 1.2755 -1 17 3 76.65 1.10 1.2432 3 12 5 78.16 1.01 1.2229 5 7 5 78.56 1.44 1.2176 -6 12 2 78.57 1.47 1.2175 -2 12 6 83.28 1.16 1.1603 1 16 5 84.36 1.57 1.1482 5 10 5 85.74 1.62 1.1331 -4 16 4 85.90 1.04 1.1314 -7 10 3 86.39 1.04 1.1262 -7 4 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.