Elpidite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060214 Cannillo E, Rossi G, Ungaretti L American Mineralogist 58 (1973) 106-109 The crystal structure of elpidite CELL PARAMETERS: 7.1160 14.6888 14.6125 90.000 90.000 90.000 SPACE GROUP: Pbcm ATOM X Y Z OCCUPANCY ISO(B) Zr 0.49500 0.25000 0.50000 1.000 0.396 Si 0.77200 0.38540 0.64620 1.000 0.400 Si 0.50860 0.04760 0.64130 1.000 0.510 Si 0.21700 0.39280 0.64350 1.000 0.490 Na 0.43620 0.22990 0.75000 1.000 2.070 Na -0.00270 0.25000 0.50000 1.000 2.020 O 0.99660 0.40470 0.63920 1.000 1.460 O 0.71560 0.35380 0.75000 1.000 1.330 O 0.70770 0.30990 0.57720 1.000 1.380 O 0.67810 0.48250 0.62770 1.000 1.530 O 0.52850 0.07130 0.75000 1.000 0.930 O 0.49040 0.14050 0.58860 1.000 1.200 O 0.30290 0.48880 0.61190 1.000 0.510 O 0.28810 0.37700 0.75000 1.000 0.790 O 0.29280 0.30970 0.58230 1.000 0.800 Wa 0.01040 0.11300 0.58100 1.000 2.610 Wa 0.12330 0.18950 0.75000 1.000 3.040 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 13 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 8.421419984 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.05 9.72 7.3444 0 2 0 12.11 11.43 7.3063 0 0 2 12.44 93.41 7.1160 1 0 0 13.49 58.93 6.5622 0 2 1 13.83 3.64 6.4041 1 1 0 17.12 69.12 5.1797 0 2 2 17.35 5.07 5.1106 1 2 0 17.40 6.28 5.0977 1 0 2 18.39 23.29 4.8241 1 2 1 18.42 1.89 4.8159 1 1 2 21.22 41.30 4.1878 1 2 2 21.90 1.75 4.0593 0 2 3 22.87 4.36 3.8882 1 3 1 24.37 12.76 3.6531 0 0 4 25.03 4.29 3.5580 2 0 0 27.18 23.19 3.2811 0 4 2 27.27 100.00 3.2708 0 2 4 27.33 44.07 3.2633 1 4 0 27.44 5.18 3.2499 1 0 4 27.86 8.79 3.2020 2 2 0 27.89 20.85 3.1989 2 0 2 28.02 15.92 3.1848 1 4 1 28.12 1.14 3.1732 1 1 4 28.54 97.38 3.1278 2 2 1 29.99 7.46 2.9796 1 4 2 30.07 26.34 2.9719 1 2 4 30.48 21.13 2.9328 2 2 2 30.49 3.27 2.9322 0 4 3 31.07 1.18 2.8783 2 3 0 32.99 13.31 2.7154 0 2 5 33.49 21.41 2.6757 2 2 3 33.57 1.34 2.6697 1 5 1 34.64 22.51 2.5899 0 4 4 35.12 12.69 2.5553 2 4 0 35.21 17.89 2.5489 2 0 4 35.38 12.21 2.5370 1 2 5 35.67 1.84 2.5171 2 4 1 36.71 5.00 2.4481 0 6 0 37.24 8.18 2.4145 0 6 1 37.34 19.50 2.4080 2 2 4 37.94 1.79 2.3718 1 5 3 38.44 1.41 2.3417 3 1 0 38.79 2.11 2.3213 0 6 2 39.40 1.36 2.2867 0 4 5 39.94 2.15 2.2572 3 2 0 40.44 3.61 2.2307 3 2 1 41.27 6.92 2.1874 0 6 3 41.48 2.37 2.1771 1 4 5 41.89 3.53 2.1566 3 2 2 43.21 14.81 2.0939 2 4 4 44.55 3.82 2.0337 0 6 4 44.65 3.72 2.0296 0 4 6 44.95 13.78 2.0168 2 6 0 45.11 2.14 2.0097 2 0 6 45.60 2.18 1.9894 3 0 4 46.44 17.06 1.9554 1 6 4 46.53 4.31 1.9518 1 4 6 46.72 7.44 1.9441 2 6 2 46.87 8.44 1.9384 2 2 6 47.25 6.17 1.9237 2 4 5 47.29 1.87 1.9223 3 4 2 47.34 3.36 1.9202 3 2 4 48.51 4.96 1.8767 0 6 5 49.65 4.90 1.8361 0 8 0 49.93 11.10 1.8266 0 0 8 51.31 2.15 1.7807 0 8 2 51.36 16.10 1.7790 4 0 0 51.67 3.75 1.7692 1 0 8 51.78 5.67 1.7656 2 6 4 51.86 21.17 1.7630 2 4 6 52.30 9.22 1.7492 3 4 4 52.32 2.44 1.7487 2 2 7 52.98 2.53 1.7285 4 0 2 53.01 1.30 1.7275 1 8 2 53.04 8.63 1.7266 0 6 6 53.32 1.11 1.7181 0 8 3 53.36 1.43 1.7170 4 2 1 53.81 3.80 1.7035 3 6 0 53.96 5.53 1.6992 3 0 6 54.21 4.53 1.6921 3 6 1 54.54 8.66 1.6825 4 2 2 54.70 1.84 1.6779 1 6 6 55.38 1.09 1.6590 3 6 2 55.85 3.07 1.6463 3 4 5 56.25 2.20 1.6354 0 4 8 56.64 1.22 1.6249 2 0 8 57.29 2.52 1.6080 3 6 3 57.66 5.38 1.5986 1 8 4 57.85 4.49 1.5939 1 4 8 57.91 12.84 1.5924 2 8 2 58.14 6.08 1.5866 2 2 8 58.19 2.23 1.5853 0 2 9 59.07 4.54 1.5639 4 4 2 59.11 6.54 1.5628 4 2 4 59.45 2.93 1.5547 0 8 5 59.76 2.14 1.5474 1 2 9 60.40 1.01 1.5326 3 2 7 62.32 8.13 1.4898 2 8 4 62.40 1.23 1.4881 4 2 5 62.50 8.86 1.4860 2 4 8 63.18 1.27 1.4718 3 6 5 63.43 7.97 1.4664 4 4 4 63.45 2.28 1.4661 0 8 6 63.55 2.68 1.4640 0 6 8 64.06 1.81 1.4536 1 4 9 64.38 1.89 1.4472 3 0 8 64.49 1.04 1.4448 3 8 1 64.78 3.54 1.4391 4 6 0 64.81 4.41 1.4386 1 10 0 64.91 1.71 1.4366 4 0 6 65.04 1.80 1.4340 1 6 8 65.08 2.37 1.4332 0 2 10 65.13 1.42 1.4322 4 6 1 65.55 2.48 1.4241 3 8 2 65.77 1.97 1.4199 3 2 8 66.18 1.12 1.4120 4 6 2 66.30 1.04 1.4098 4 2 6 66.56 2.18 1.4049 1 2 10 67.04 1.08 1.3959 3 6 6 67.29 1.07 1.3914 3 8 3 67.32 1.01 1.3909 5 2 1 68.35 1.74 1.3723 5 2 2 68.47 2.31 1.3704 2 4 9 68.90 3.59 1.3628 0 10 4 69.19 6.52 1.3577 2 10 0 69.20 3.56 1.3577 0 4 10 69.42 3.08 1.3539 2 6 8 69.47 6.10 1.3531 0 6 9 69.53 1.69 1.3519 2 10 1 69.55 1.85 1.3517 2 0 10 70.37 2.16 1.3378 4 4 6 70.55 1.74 1.3349 2 10 2 70.89 3.18 1.3294 2 2 10 71.03 3.46 1.3270 5 4 0 71.37 1.07 1.3216 5 4 1 72.38 1.07 1.3057 5 4 2 72.42 1.93 1.3050 5 2 4 73.07 2.14 1.2949 0 8 8 73.33 3.63 1.2911 4 6 5 74.23 1.96 1.2777 4 8 0 74.45 2.32 1.2744 4 0 8 75.41 3.32 1.2606 5 2 5 75.54 1.14 1.2586 3 4 9 75.55 1.17 1.2586 4 8 2 76.24 2.14 1.2488 3 10 0 76.46 2.01 1.2458 3 6 8 76.96 3.17 1.2390 4 6 6 76.98 1.02 1.2386 1 10 6 77.55 1.53 1.2310 3 10 2 77.85 1.92 1.2270 2 2 11 77.88 1.87 1.2266 3 2 10 78.40 1.43 1.2198 0 12 1 78.56 1.00 1.2177 0 0 12 79.84 2.47 1.2013 0 2 12 81.09 2.54 1.1859 2 10 6 81.21 1.51 1.1845 1 2 12 81.29 1.26 1.1836 4 2 9 81.31 1.69 1.1833 2 6 10 82.37 1.02 1.1707 6 0 2 82.38 1.39 1.1707 4 8 5 82.77 2.72 1.1660 5 6 4 82.84 2.52 1.1653 5 4 6 83.24 1.68 1.1606 0 12 4 83.65 1.69 1.1561 6 2 2 84.60 1.56 1.1455 1 12 4 85.90 1.02 1.1314 4 8 6 86.00 2.55 1.1304 4 6 8 86.02 1.74 1.1301 1 10 8 86.14 1.41 1.1289 1 8 10 86.17 1.00 1.1286 6 4 0 87.38 2.84 1.1161 4 2 10 87.49 2.12 1.1150 6 2 4 88.64 1.62 1.1034 2 12 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.