Natrolemoynite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R060958 McDonald A M, Chao G Y The Canadian Mineralogist 39 (2001) 1295-1306 Natrolemoynite, a new hydrated sodiium zirconosilicate from Mont Saint-Hilaire, Quebec: Description and structure determination Locality: Mont Saint-Hilaire, Quebec, Canada CELL PARAMETERS: 10.5300 16.2700 9.1200 90.000 105.400 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Na 0.00000 0.39260 0.50000 0.440 0.568 K 0.00000 0.39260 0.50000 0.050 0.568 Ca 0.00000 0.39260 0.50000 0.010 0.568 Na 0.18010 0.42960 0.62100 0.500 0.584 Zr 0.25000 0.25000 0.50000 0.940 0.095 Nb 0.25000 0.25000 0.50000 0.040 0.095 Ti 0.25000 0.25000 0.50000 0.020 0.095 Si 0.26452 0.09667 -0.25035 1.000 0.071 Si 0.06154 0.22752 0.74688 1.000 0.095 Si 0.50000 0.16734 0.00000 1.000 0.079 O 0.14330 0.14110 -0.20170 1.000 0.134 O 0.13160 0.27900 0.64020 1.000 0.134 O 0.22940 0.00000 -0.26120 1.000 0.126 O 0.39690 0.10720 -0.11250 1.000 0.158 O 0.07810 0.27610 0.90820 1.000 0.174 O 0.28270 0.13180 -0.40700 1.000 0.158 O 0.09070 0.20730 0.32930 1.000 0.174 Wa 0.09730 0.00000 -0.61740 1.000 0.600 Wa 0.17170 0.10930 0.12150 1.000 0.671 Wa 0.01150 0.00000 -0.12140 1.000 0.742 Wa 0.10030 0.50000 0.75563 0.560 0.790 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 14 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 11.08484076 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.06 22.16 8.7926 0 0 1 10.88 100.00 8.1350 0 2 0 12.66 18.66 6.9902 -1 1 1 14.84 32.91 5.9713 0 2 1 15.94 12.29 5.5585 1 1 1 17.47 12.69 5.0760 2 0 0 17.70 21.97 5.0096 -2 0 1 18.55 4.73 4.7835 1 3 0 19.99 10.50 4.4417 -1 3 1 20.20 1.27 4.3963 0 0 2 20.51 6.05 4.3306 -1 1 2 20.82 3.51 4.2657 -2 2 1 21.85 4.97 4.0675 0 4 0 22.43 35.13 3.9638 2 0 1 23.00 10.48 3.8676 0 2 2 24.11 25.84 3.6916 0 4 1 24.72 1.14 3.6009 1 1 2 24.99 39.31 3.5633 2 2 1 25.49 40.44 3.4951 -2 2 2 25.75 8.50 3.4598 -1 3 2 26.16 1.55 3.4062 -3 1 1 28.11 3.32 3.1741 2 4 0 28.81 4.67 3.0987 1 5 0 29.23 8.67 3.0550 -3 1 2 29.26 13.92 3.0522 1 3 2 29.91 4.02 2.9875 -1 1 3 29.93 1.18 2.9856 0 4 2 30.50 8.39 2.9309 -3 3 1 30.50 1.77 2.9309 0 0 3 30.92 15.61 2.8925 -2 0 3 31.15 2.80 2.8709 3 3 0 31.23 9.02 2.8643 3 1 1 31.38 11.88 2.8510 1 5 1 31.52 24.77 2.8388 2 4 1 31.92 43.12 2.8039 -2 4 2 32.21 12.34 2.7792 2 2 2 32.86 7.85 2.7253 -2 2 3 33.03 8.26 2.7117 0 6 0 33.20 2.06 2.6981 -3 3 2 34.02 5.51 2.6354 -1 5 2 34.07 6.89 2.6317 -4 0 1 34.47 6.43 2.6016 1 1 3 34.62 6.09 2.5912 0 6 1 35.00 2.20 2.5640 3 3 1 35.37 1.44 2.5380 4 0 0 35.86 9.53 2.5040 -4 2 1 37.57 9.33 2.3939 -4 2 2 37.61 5.04 2.3919 2 4 2 37.61 11.03 2.3918 2 6 0 37.72 1.12 2.3847 -2 6 1 38.02 1.60 2.3666 3 1 2 38.64 3.62 2.3301 -3 3 3 40.30 1.17 2.2381 2 6 1 40.97 9.63 2.2031 2 2 3 41.76 1.33 2.1632 1 7 1 41.93 2.89 2.1548 -4 2 3 42.61 5.18 2.1220 0 2 4 43.08 4.27 2.0995 -1 3 4 43.86 2.25 2.0644 -1 7 2 44.55 9.62 2.0338 0 8 0 44.79 1.31 2.0234 1 1 4 45.38 9.95 1.9986 2 6 2 45.48 3.11 1.9945 2 4 3 45.58 3.68 1.9904 0 6 3 45.78 5.19 1.9819 4 0 2 45.79 1.30 1.9814 0 8 1 46.16 7.31 1.9664 -2 4 4 46.36 4.17 1.9585 -4 4 3 46.40 1.37 1.9571 3 1 3 46.95 7.64 1.9353 -4 0 4 46.99 2.12 1.9338 0 4 4 47.20 4.76 1.9256 4 2 2 47.45 1.53 1.9159 3 7 0 48.18 11.26 1.8885 -4 6 1 48.20 2.42 1.8879 2 8 0 48.30 1.35 1.8844 -2 8 1 48.34 2.63 1.8827 -4 2 4 48.97 5.78 1.8600 5 1 1 49.17 1.17 1.8530 4 6 0 49.36 2.55 1.8462 -1 7 3 50.43 1.92 1.8095 2 8 1 50.58 1.97 1.8045 -1 1 5 50.71 2.11 1.8003 -2 8 2 51.28 3.38 1.7817 4 4 2 52.28 1.64 1.7500 -6 0 1 52.31 1.34 1.7489 2 6 3 52.40 1.41 1.7461 4 6 1 52.93 1.83 1.7299 -2 6 4 53.30 1.75 1.7188 0 2 5 53.68 1.35 1.7076 0 6 4 53.69 1.20 1.7073 4 0 3 53.83 1.98 1.7031 -6 2 2 54.21 1.94 1.6920 6 0 0 54.41 5.06 1.6861 3 5 3 54.78 1.18 1.6757 2 8 2 54.95 1.48 1.6709 4 2 3 54.95 4.74 1.6709 0 8 3 55.07 2.43 1.6675 -4 0 5 55.09 1.07 1.6670 3 7 2 55.21 4.19 1.6637 -2 8 3 55.47 2.76 1.6565 6 2 0 55.48 1.37 1.6563 -5 3 4 55.65 1.17 1.6516 1 1 5 56.24 4.74 1.6358 -6 2 3 56.32 1.46 1.6336 -4 2 5 56.58 1.83 1.6266 -1 7 4 57.06 2.16 1.6141 0 4 5 57.25 5.31 1.6092 -4 8 1 57.62 1.35 1.5998 0 10 1 58.20 1.03 1.5852 6 0 1 58.45 1.13 1.5789 -4 8 2 58.60 3.01 1.5752 -4 6 4 58.64 6.67 1.5743 4 4 3 59.14 4.13 1.5622 6 4 0 59.43 2.56 1.5552 -6 0 4 59.50 2.07 1.5537 -1 9 3 59.63 3.91 1.5506 -3 5 5 59.88 2.10 1.5448 -6 4 3 59.94 1.35 1.5432 -5 7 2 59.95 4.79 1.5429 -4 4 5 60.03 2.00 1.5412 -5 1 5 60.39 1.73 1.5329 1 7 4 60.69 2.70 1.5259 0 10 2 61.26 1.32 1.5131 2 2 5 61.51 1.50 1.5077 -2 8 4 61.62 4.52 1.5051 2 10 1 61.67 1.35 1.5041 -4 8 3 61.86 3.48 1.4999 -2 10 2 62.14 2.68 1.4937 -2 2 6 62.85 2.92 1.4786 4 0 4 62.93 2.71 1.4770 6 4 1 63.00 3.10 1.4754 0 6 5 64.00 1.20 1.4548 4 2 4 64.50 2.77 1.4448 4 6 3 64.63 1.21 1.4422 0 2 6 64.73 1.32 1.4402 2 4 5 64.97 2.20 1.4355 6 6 0 65.48 1.49 1.4255 2 10 2 65.58 1.60 1.4235 -2 4 6 65.74 1.47 1.4204 -4 6 5 68.81 3.62 1.3644 -4 10 2 68.98 1.17 1.3614 -3 11 1 69.10 1.21 1.3594 -7 5 1 69.70 2.16 1.3491 -6 6 4 70.84 1.05 1.3302 0 8 5 71.09 1.23 1.3261 2 10 3 71.12 1.68 1.3256 -2 6 6 71.73 1.17 1.3159 -8 0 2 72.69 1.13 1.3008 2 2 6 72.70 1.13 1.3007 6 8 0 72.71 3.34 1.3005 5 9 1 72.81 2.48 1.2990 -8 2 2 72.86 1.88 1.2981 4 6 4 73.43 1.04 1.2895 -4 8 5 73.65 1.93 1.2862 -2 2 7 73.85 3.16 1.2832 -3 11 3 73.87 1.12 1.2829 2 12 1 75.06 1.70 1.2654 7 5 1 75.90 4.63 1.2536 2 4 6 76.01 1.47 1.2520 -8 4 2 76.84 2.71 1.2406 -2 4 7 76.85 2.09 1.2404 -1 11 4 77.22 1.38 1.2354 -6 8 4 78.17 1.03 1.2228 1 9 5 80.28 1.65 1.1959 4 12 0 80.84 1.14 1.1889 -6 10 2 81.87 1.30 1.1766 -8 6 1 82.84 1.81 1.1653 -6 10 3 83.22 1.09 1.1609 8 4 1 83.76 1.09 1.1548 -7 9 2 83.83 1.33 1.1540 0 12 4 86.75 1.28 1.1225 -6 4 7 88.29 1.68 1.1069 -8 2 6 89.08 2.19 1.0991 0 0 8 89.58 1.55 1.0943 6 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.