3 2 0 4 CRYSTAL_MOSAICITY=0.3848 0.0000 0.0000; CRYSTAL_ORIENT_ANGLES= -41.7479 -5.1124 -3.7154; CRYSTAL_SPACEGROUP=23; CRYSTAL_UNIT_CELL= 92.9460 99.5781 102.4141 90.0000 90.0000 90.0000; nH nK nL fIntensity fSigmaI 0 0 4 937.026 44.9523 0 0 6 16738.8 302.353 0 0 8 27.3548 14.5080 0 0 10 8842.43 177.951 0 0 12 39652.8 653.742 0 0 14 8706.35 145.841 0 0 16 3755.39 106.940 0 0 18 1706.66 75.8518 0 0 20 9062.34 198.815 0 0 22 4694.63 144.130 0 0 24 74849.0 1595.40 0 0 26 31826.9 519.266 0 0 28 49486.2 1486.28 0 0 30 710.073 85.5629 0 0 32 21504.1 1001.60 0 1 5 2346.59 50.9228 0 1 7 6958.19 104.079 0 1 9 2072.58 46.5498 0 1 11 180.157 15.3631 0 1 13 10001.5 113.966 0 1 15 1027.11 39.7550 0 1 17 725.370 37.7873 0 1 19 7285.17 119.494 0 1 21 2412.32 66.0657 0 1 23 12842.6 164.153 0 1 25 6253.09 131.631 0 1 27 47300.6 798.112 0 1 29 76.2919 18.6345 0 1 31 4647.56 133.180 0 1 33 1899.90 134.202 0 2 4 1448.53 40.3287 0 2 6 9245.62 128.159 0 2 8 54.8542 10.6903 0 2 10 13831.8 181.725 0 2 12 77.9442 11.3342 0 2 14 19223.2 207.316 0 2 16 9378.23 103.329 0 2 18 563.216 38.0514 0 2 20 7077.23 138.675 0 2 22 146.996 13.6671 0 2 24 1244.63 47.1146 0 2 26 1733.54 62.7703 0 2 28 10044.5 169.684 0 2 30 14729.3 212.094 0 2 32 84.0871 21.5774 0 3 3 1058.58 31.2925 0 3 5 29.3509 10.2271 0 3 7 1414.02 40.8446 0 3 9 698.394 26.1390 0 3 11 20995.0 250.189 0 3 13 13920.6 153.358 0 3 15 3167.88 64.9646 0 3 17 3887.51 78.1209 0 3 19 17894.8 230.296 0 3 21 3698.13 88.6136 0 3 23 1804.86 59.8927 0 3 25 15782.9 192.154 0 3 27 6274.99 133.366 0 3 29 4311.05 111.145 0 3 31 5316.93 131.330 0 3 33 8302.36 156.200 0 4 0 2529.18 82.8615 0 4 2 221.443 17.4657 0 4 4 1125.57 32.5412 0 4 6 1061.72 42.2169 0 4 8 3747.42 76.0971 0 4 10 16548.5 216.340 0 4 12 4136.46 75.6163 0 4 14 10632.2 122.250 0 4 16 1945.83 57.5780 0 4 18 1269.97 54.6209 0 4 20 23118.1 273.798 0 4 22 1234.26 56.9140 0 4 24 805.347 34.2970 0 4 26 620.151 51.2733 0 4 28 1339.59 60.4179 0 4 30 1370.43 79.9036 0 4 32 71.9007 23.7017 0 5 1 60.6593 10.3049 0 5 3 20735.2 242.690 0 5 5 221.668 17.9405 0 5 7 21687.4 255.530 0 5 9 11183.3 208.370 0 5 11 16838.7 221.423 0 5 13 5370.19 91.7162 0 5 15 107.162 13.8268 0 5 17 291.108 26.1787 0 5 19 11830.1 159.116 0 5 21 10496.1 164.730 0 5 23 11109.5 171.160 0 5 25 4738.94 100.033 0 5 27 18811.5 245.319 0 5 29 968.968 51.5258 0 5 31 2505.42 128.311 0 5 33 318.797 34.9694 0 6 0 568.406 29.7985 0 6 2 30191.0 351.006 0 6 4 982.529 35.0043 0 6 6 33.3596 10.3492 0 6 8 97.8177 11.0347 0 6 10 40017.8 467.104 0 6 12 16556.6 180.307 0 6 14 735.983 36.1594 0 6 16 242.689 24.4410 0 6 18 11283.0 152.264 0 6 20 17076.0 208.472 0 6 22 4212.37 87.9823 0 6 24 3224.12 79.4928 0 6 26 101.229 16.1624 0 6 28 1439.14 56.6253 0 6 30 2985.17 132.445 0 6 32 12186.4 201.352 0 7 1 136.822 12.0938 0 7 3 37.9322 10.3718 0 7 5 148.674 12.9277 0 7 7 27847.6 327.469 0 7 9 4289.02 79.0618 0 7 11 495.891 25.5383 0 7 13 923.465 36.0542 0 7 15 1320.92 47.1077 0 7 17 11023.2 148.938 0 7 19 661.685 38.7633 0 7 21 1688.04 55.6135 0 7 23 50.5728 12.0685 0 7 25 10167.5 151.617 0 7 27 105.889 16.3767 0 7 29 10749.4 194.152 0 7 31 1475.08 99.7902 0 7 33 503.104 46.5616 0 8 0 10769.0 213.889 0 8 2 2010.39 46.0863 0 8 4 7386.93 149.279 0 8 6 845.956 31.7670 0 8 8 12222.8 163.843 0 8 10 69.1356 12.5987 0 8 12 1177.54 42.1974 0 8 14 393.641 25.3364 0 8 16 1886.78 56.3064 0 8 18 8474.87 132.845 0 8 20 18878.0 277.332 0 8 22 6691.50 149.254 0 8 24 280.139 22.8500 0 8 26 6045.06 146.743 0 8 28 10282.3 179.713 0 8 30 1084.75 60.0630 0 8 32 362.715 36.0820 0 9 1 3564.91 78.6018 0 9 3 26008.6 307.331 0 9 5 41.2481 10.9694 0 9 7 106.806 11.5448 0 9 9 46.1785 11.9154 0 9 11 2639.69 72.6676 0 9 13 10146.7 111.151 0 9 15 4461.49 87.7403 0 9 17 698.422 40.5532 0 9 19 102.463 11.2061 0 9 21 2124.88 69.0114 0 9 23 371.273 30.9575 0 9 25 2305.08 102.431 0 9 27 565.989 37.5467 0 9 29 12844.8 209.265 0 9 31 11713.5 193.085 0 10 0 245.612 29.0305 0 10 2 2390.88 56.0371 0 10 4 22275.4 266.342 0 10 6 869.552 33.3793 0 10 8 672.813 33.2217 0 10 10 12770.4 144.800 0 10 12 18323.4 184.192 0 10 14 3411.93 70.3385 0 10 16 2552.10 66.9606 0 10 18 12254.5 156.427 0 10 20 846.823 41.2522 0 10 22 2288.00 75.8122 0 10 24 9865.70 155.794 0 10 26 9256.46 156.511 0 10 28 8705.61 161.011 0 10 30 2428.04 138.710 0 10 32 1609.96 115.929 0 11 1 2391.69 63.2580 0 11 3 10866.9 153.893 0 11 5 372.169 16.7947 0 11 7 3409.99 69.0694 0 11 9 451.327 23.9604 0 11 11 3204.19 84.7856 0 11 13 771.179 32.5863 0 11 15 51.4948 14.2940 0 11 17 639.444 38.2775 0 11 19 9602.39 153.492 0 11 21 526.954 40.9972 0 11 23 8956.95 152.771 0 11 25 16231.0 216.243 0 11 27 2279.55 79.2475 0 11 29 6225.52 135.872 0 11 31 2722.45 179.159 0 12 0 36610.4 609.084 0 12 2 3469.41 69.5707 0 12 4 88.1395 12.3366 0 12 6 737.535 39.9398 0 12 8 1163.96 42.6392 0 12 10 12357.8 131.944 0 12 12 66.0970 13.6609 0 12 14 2250.48 61.8192 0 12 16 5634.76 114.120 0 12 18 1066.24 49.4720 0 12 20 32048.5 370.171 0 12 22 3269.92 91.4799 0 12 24 15858.4 211.499 0 12 26 5067.14 113.624 0 12 28 1692.80 97.7760 0 12 30 844.074 66.6707 0 13 1 1004.15 44.0094 0 13 3 7956.05 156.290 0 13 5 688.382 34.7130 0 13 7 1334.84 41.2057 0 13 9 604.567 36.4035 0 13 11 13075.1 140.253 0 13 13 7750.68 126.237 0 13 15 35431.8 569.454 0 13 17 12561.4 194.827 0 13 19 8365.91 140.063 0 13 21 4839.79 125.771 0 13 23 3655.06 85.1453 0 13 25 1862.43 72.9597 0 13 27 9279.34 172.094 0 13 29 7972.19 164.414 0 13 31 1562.09 112.438 0 14 0 1837.61 73.8015 0 14 2 417.927 22.8656 0 14 4 64.4481 12.3419 0 14 6 110.329 13.4521 0 14 8 938.817 39.7617 0 14 10 189.690 20.4123 0 14 12 12493.7 168.133 0 14 14 3593.08 87.1208 0 14 16 2835.77 76.9079 0 14 18 3656.55 78.2123 0 14 20 991.904 38.7170 0 14 22 3150.17 91.7697 0 14 24 142.227 18.8867 0 14 26 845.943 54.3328 0 14 28 1980.36 122.222 0 14 30 294.726 33.1609 0 15 1 127.344 14.4771 0 15 3 56.1999 13.3786 0 15 5 6398.43 115.580 0 15 7 4171.00 84.8352 0 15 9 15690.5 165.232 0 15 11 5583.54 121.255 0 15 13 474.108 33.5008 0 15 15 688.137 38.3300 0 15 17 5127.33 101.679 0 15 19 7840.62 132.132 0 15 21 18834.5 230.028 0 15 23 117.260 19.1102 0 15 25 4064.46 106.726 0 15 27 75.4489 20.3078 0 15 29 2556.07 168.409 0 16 0 1052.56 62.2462 0 16 2 23223.5 323.583 0 16 4 6561.52 118.535 0 16 6 3796.80 78.5241 0 16 8 5362.68 101.569 0 16 10 19242.1 249.093 0 16 12 11212.2 172.695 0 16 14 176.648 16.4375 0 16 16 382.587 23.4095 0 16 18 16739.5 205.156 0 16 20 5793.32 119.201 0 16 22 10994.0 196.100 0 16 24 3004.02 96.3609 0 16 26 303.622 33.4944 0 16 28 135.210 24.9405 0 17 1 899.563 38.5632 0 17 3 12186.5 134.617 0 17 5 522.655 36.0772 0 17 7 158.386 16.6861 0 17 9 6229.31 106.529 0 17 11 197.030 16.3059 0 17 13 27598.7 343.029 0 17 15 87.1125 11.4385 0 17 17 211.126 19.5997 0 17 19 117.668 14.7868 0 17 21 1376.07 60.8130 0 17 23 110.416 17.1254 0 17 25 216.359 26.6419 0 17 27 126.834 27.1837 0 17 29 5146.37 329.272 0 18 0 254.316 35.5407 0 18 2 117.971 15.3911 0 18 4 10315.0 143.300 0 18 6 2970.43 73.5370 0 18 8 2483.82 67.6176 0 18 10 2170.11 61.0541 0 18 12 577.107 36.0073 0 18 14 1366.82 56.6371 0 18 16 6930.21 177.755 0 18 18 46146.9 583.712 0 18 20 154.158 22.7577 0 18 22 16284.7 239.342 0 18 24 5706.31 124.764 0 18 26 673.623 41.7892 0 18 28 356.492 36.4980 0 19 1 779.255 38.8154 0 19 3 539.476 37.4699 0 19 5 15784.2 196.556 0 19 7 10493.1 163.883 0 19 9 3481.53 103.226 0 19 11 156.613 12.7502 0 19 13 156.229 13.5336 0 19 15 8772.47 147.801 0 19 17 21667.0 256.099 0 19 19 3945.91 100.624 0 19 21 371.499 34.1695 0 19 23 2854.15 141.099 0 19 25 8537.34 213.951 0 19 27 5068.80 147.967 0 20 0 22462.0 382.983 0 20 2 5607.85 115.709 0 20 4 9074.54 144.102 0 20 6 50.5476 11.7430 0 20 8 14472.6 192.844 0 20 10 1047.21 48.7811 0 20 12 843.804 44.9406 0 20 14 873.955 35.9950 0 20 16 1729.10 65.1586 0 20 18 9555.16 173.900 0 20 20 100.591 15.8343 0 20 22 62.8099 19.2630 0 20 24 4955.19 126.288 0 20 26 85.1309 20.4136 0 21 1 447.748 28.9330 0 21 3 4084.04 99.6482 0 21 5 6191.54 110.677 0 21 7 135.770 13.1012 0 21 9 1353.66 55.6942 0 21 11 4725.48 109.257 0 21 13 2941.40 84.2469 0 21 15 8278.39 159.183 0 21 17 956.521 49.1447 0 21 19 128.016 18.4422 0 21 21 1986.67 99.8529 0 21 23 994.920 68.7088 0 21 25 605.954 52.8842 0 22 0 6070.57 168.510 0 22 2 979.131 44.5559 0 22 4 1109.08 47.8663 0 22 6 499.906 30.6369 0 22 8 21095.7 252.457 0 22 10 123.914 15.2499 0 22 12 1432.62 59.0646 0 22 14 4885.15 128.054 0 22 16 140.045 20.1856 0 22 18 4859.68 118.629 0 22 20 2404.31 107.119 0 22 22 332.693 37.3067 0 22 24 1445.30 95.5451 0 23 1 3666.63 82.1220 0 23 3 1010.77 45.5701 0 23 5 316.880 27.5527 0 23 7 13044.1 234.632 0 23 9 353.497 28.1746 0 23 11 90.4322 15.3906 0 23 13 1455.90 60.4362 0 23 15 1477.56 59.9811 0 23 17 546.113 40.2696 0 23 19 6236.88 129.974 0 23 21 3040.09 129.565 0 23 23 4577.87 139.529 0 24 0 1192.47 64.4778 0 24 2 1887.50 65.1555 0 24 4 258.357 21.5207 0 24 6 3614.39 94.3172 0 24 8 817.191 40.6592 0 24 10 14945.1 192.197 0 24 12 1064.73 53.5718 0 24 14 1502.81 75.5506 0 24 16 501.241 39.7407 0 24 18 5094.00 132.068 0 24 20 4764.12 123.642 0 24 22 10531.9 191.022 0 25 1 2812.94 82.6072 0 25 3 556.480 31.5552 0 25 5 110.298 15.6785 0 25 7 6250.29 138.903 0 25 9 4324.93 107.574 0 25 11 18350.5 296.094 0 25 13 2619.42 85.2412 0 25 15 316.180 30.2387