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Table 6

By Gilbert Stone,2014-05-07 15:54
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Table 6

    Table 6. (for deposit) Simulated (for CuK?) X-ray powder diffraction intensities from

    single-crystal data collection (XPREP software, ?Bruker-AXS Inc.)

    I d hkl I d hkl 2? 2?

    0.11 6.34 13.93 2 0 0 3.31 42.51 2.12 11 1 2 3 1 4 1.70 8.71 10.14 0 0 1 3 2 2 6 2 0 8.08 10.15 8.71 2 0 1 6.00 42.94 2.10 6 1 4 0.27 11.38 7.77 2 0 1 5.49 43.21 2.09 10 1 2 12 1 1 9.65 12.70 6.97 4 0 0 12 1 0 13.96 14.53 6.09 4 0 1 3.00 43.72 2.07 4 1 4 8 1 3 3.57 16.26 5.45 4 0 1 2.19 44.25 2.05 5 2 2 7 1 4 3.32 17.47 5.07 0 0 2 7 2 0 2 0 5 0.95 17.88 4.96 2 0 2 3.36 44.57 2.03 4 2 2 12 0 3 27.55 18.60 4.77 0 1 0 7 2 1 0 0 5 7.36 19.10 4.64 6 0 0 7.57 45.14 2.01 12 1 2 12 1 1 10.33 19.67 4.51 2 1 0 14.91 46.39 1.96 13 1 1 8 2 1 6.89 20.04 4.43 6 0 1 8.02 46.98 1.93 14 0 2 1.14 20.57 4.32 0 1 1 48.26 47.56 1.91 2 2 3 4 2 3 1.21 20.96 4.23 3 1 0 1 1 1 14 0 1 8 2 1 1.87 21.23 4.18 2 1 1 5.01 48.12 1.89 9 2 0 4 0 5 3.63 21.96 4.04 6 0 1 4.06 49.43 1.84 4 2 3 14 1 1 1.37 22.27 3.99 3 1 1 10 1 4 6 2 3 5.48 22.58 3.93 4 1 0 10.48 49.96 1.82 12 0 4 2 1 5 3.10 22.87 3.89 4 0 2 11.77 50.26 1.81 12 0 3 9 2 2 2.02 23.14 3.84 3 1 1 14 0 3 10 2 0 2.98 23.68 3.75 4 1 1 14.27 51.21 1.78 6 0 5 11 1 3 1.97 24.38 3.65 6 0 2 14.64 51.49 1.77 14 1 1 10 0 4 1.06 24.82 3.58 4 1 1 28.19 52.50 1.74 1 2 4 10 0 5 26.65 25.63 3.47 1 1 2 0 1 2 16 0 0 2 2 4 13.71 26.02 3.42 8 0 1 1 1 2 26.57 53.79 1.70 7 2 3 12 1 4 15.81 26.35 3.38 0 0 3 2 0 3 2 0 6 9 2 3

    5.39 54.48 1.68 11 2 2 16 0 1 40.38 26.78 3.33 6 1 0 6 0 2

    9.14 27.50 3.24 6 1 1 3 2 4 9 1 5

    18.07 55.18 1.66 10 2 2 12 2 0 31.24 27.89 3.20 2 0 3 4 0 3

     10 1 4 33.60 29.64 3.01 4 1 2

    11.10 55.51 1.65 4 2 4 10 2 3 44.85 30.83 2.90 6 0 3 6 1 2

    15.71 56.19 1.64 10 1 5 16 1 0 43.23 32.17 2.78 10 0 0 8 1 1

    5.52 32.86 2.72 7 1 2 8 0 2 14 0 3

    16.09 56.72 1.62 12 2 2 5 2 4 100.00 33.74 2.65 2 1 3 4 1 3

    8.14 34.31 2.61 10 0 1 12 2 1 12 0 4 5.85 34.65 2.59 6 0 3 8 0 3 19.78 57.45 1.60 2 1 6 11 2 2 11.71 35.18 2.55 2 0 4 4 0 6 7.19 36.19 2.48 4 1 3 4 0 4 17.75 57.98 1.59 0 1 6 4 1 6 1.32 36.73 2.44 2 0 4 16 0 2 0 3 0 14.11 37.71 2.38 0 2 0 16 1 1 18.45 38.33 2.35 2 2 0 6 0 4 2.45 59.07 1.56 1 3 1 2 3 1

    21.47 38.65 2.33 10 0 2 12 0 0 2 1 6 6 1 6 14.24 39.20 2.30 2 2 1 4 0 4 13 2 2 7.02 39.78 2.26 3 2 1 10 1 2 1.77 59.75 1.55 17 1 0 4 3 0 15.39 40.04 2.25 4 2 0 1 1 4 18 0 0 10 2 3 17.08 40.28 2.24 3 2 1 11 1 0 3 2 5 7 2 4 23.08 40.73 2.21 4 2 1 12 0 2 0 2 5 14 1 3

     1 1 4 3 3 1 21.27 41.62 2.17 7 1 3 9 1 3

    Note: In bold are reported the 8 strongest lines.

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