#------------------------------------------------------------------------------
#$Date: 2021-09-22 04:47:00 +0300 (Wed, 22 Sep 2021) $
#$Revision: 269240 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108884.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2108884
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           ' P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  ' P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.182(10)
_cell_angle_gamma                90
_cell_length_a                   5.1854(8)
_cell_length_b                   7.3998(10)
_cell_length_c                   9.4976(12)
_cell_volume                     360.72(9)
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_cod_data_source_file            um5050HMTX20sup10.hkl
_cod_data_source_block           HMTX20
_shelx_refln_list_code           4
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_f_squared_weight
_refln_observed_status
-5 -7 -3 5.144 6.857 0.637 68.351 o
-5 -7 -2 4.619 4.717 0.531 97.006 o
-5 -7 -1 7.856 9.544 0.692 55.902 o
-5 -7 0 4.149 4.303 0.513 104.646 o
-5 -6 -5 0.899 -0.110 0.340 258.668 o
-5 -6 -4 2.832 2.086 0.420 158.377 o
-5 -6 -3 8.298 9.665 0.947 31.767 o
-5 -6 -2 3.257 2.799 0.452 136.292 o
-5 -6 -1 5.034 5.028 0.488 111.364 o
-5 -6 0 18.969 18.119 0.745 40.329 o
-5 -5 -6 3.549 3.584 0.523 102.881 o
-5 -5 -5 9.120 11.018 0.734 49.268 o
-5 -5 -4 2.429 2.618 0.408 167.681 o
-5 -5 -3 13.254 12.270 0.679 52.489 o
-5 -5 -2 4.516 5.330 0.454 126.989 o
-5 -5 -1 5.510 5.358 0.462 120.376 o
-5 -5 0 9.111 8.429 0.551 80.936 o
-5 -4 -7 11.978 11.548 1.325 16.538 o
-5 -4 -6 0.877 0.228 0.316 296.917 o
-5 -4 -5 2.955 3.956 0.454 134.162 o
-5 -4 -4 14.057 16.298 0.720 46.069 o
-5 -4 -3 0.567 0.774 0.252 456.504 o
-5 -4 -2 3.090 2.706 0.340 225.308 o
-5 -4 -1 4.459 4.061 0.367 183.798 o
-5 -4 0 22.066 23.099 0.874 29.784 o
-5 -3 -7 5.179 5.363 0.605 75.835 o
-5 -3 -6 12.376 11.036 0.697 51.491 o
-5 -3 -5 0.397 0.186 0.306 323.071 o
-5 -3 -4 0.295 0.355 0.229 567.883 o
-5 -3 -3 12.223 13.591 0.596 64.495 o
-5 -3 -2 32.911 34.247 0.837 25.753 o
-5 -3 -1 26.093 28.121 0.724 35.087 o
-5 -3 0 58.783 60.053 1.149 11.945 o
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-5 -2 -7 2.197 3.176 0.491 119.176 o
-5 -2 -6 2.378 3.152 0.404 169.653 o
-5 -2 -5 7.286 6.651 1.151 22.358 o
-5 -2 -4 5.642 5.282 0.440 130.056 o
-5 -2 -3 17.974 20.687 1.463 13.139 o
-5 -1 -8 2.598 1.917 0.928 35.249 o
-5 -1 -7 1.042 1.009 0.892 38.542 o
-5 4 1 36.417 40.521 1.182 15.415 o
-5 4 2 6.144 7.035 0.615 71.765 o
-5 4 3 23.172 22.822 0.937 26.556 o
-5 5 1 17.692 19.274 1.031 24.423 o
-5 5 2 5.640 6.054 0.641 67.606 o
-5 5 3 4.915 4.601 0.685 61.079 o
-5 5 4 0.861 0.535 0.356 234.275 o
-5 5 5 10.094 11.442 0.797 42.226 o
-5 5 6 8.037 8.000 0.752 48.710 o
-5 6 1 9.493 10.081 0.845 38.581 o
-5 6 2 0.797 0.853 0.441 154.654 o
-5 6 3 6.224 5.888 0.830 41.843 o
-5 6 4 1.425 1.182 0.466 136.431 o
-5 6 5 5.170 5.681 0.668 63.238 o
-5 6 6 8.229 6.742 0.745 49.816 o
-5 6 7 0.977 1.462 0.787 49.378 o
-5 7 1 12.105 11.841 1.020 26.765 o
-5 7 2 11.396 9.082 0.907 33.554 o
-5 7 3 2.829 3.938 0.693 61.294 o
-5 7 4 0.863 0.387 0.538 104.962 o
-5 7 5 1.950 1.738 0.625 76.649 o
-4 -8 -3 0.056 0.289 0.376 217.567 o
-4 -8 -2 2.814 2.864 0.452 137.378 o
-4 -8 -1 3.072 4.144 0.528 101.562 o
-4 -8 0 17.079 16.095 1.391 14.607 o
-4 -7 -5 7.830 6.898 0.743 50.216 o
-4 -7 -4 6.440 7.246 0.617 70.806 o
-4 -7 -3 13.919 14.031 0.961 29.025 o
-4 -7 -2 5.651 4.682 0.714 56.045 o
-4 -7 -1 0.108 -0.082 0.239 538.578 o
-4 -7 0 7.966 7.367 0.963 31.099 o
-4 -6 -7 3.056 2.662 0.506 111.519 o
-4 -6 -6 0.094 -0.322 0.325 291.630 o
-4 -6 -5 0.813 0.667 0.334 264.400 o
-4 -6 -4 2.735 3.513 0.431 148.475 o
-4 -6 -3 1.061 0.801 0.275 374.770 o
-4 -6 -2 1.766 1.766 0.297 307.269 o
-4 -6 -1 0.080 0.822 0.243 504.689 o
-4 -6 0 36.782 37.433 1.641 9.426 o
-4 -5 -8 5.618 6.238 0.694 58.440 o
-4 -5 -7 3.944 3.627 0.518 103.790 o
-4 -5 -6 0.462 -0.011 0.283 377.060 o
-4 -5 -5 3.981 4.204 0.481 117.993 o
-4 -5 -4 29.378 30.978 0.897 25.218 o
-4 -5 -3 45.061 44.690 1.048 16.264 o
-4 -5 -2 15.179 17.014 0.663 50.909 o
-4 -5 -1 19.464 20.751 0.707 42.311 o
-4 -5 0 5.770 4.793 0.678 61.476 o
-4 -4 -9 14.076 13.180 1.020 26.243 o
-4 -4 -8 3.259 2.193 0.728 56.061 o
-4 -4 -7 3.166 4.029 0.486 117.912 o
-4 -4 -6 7.144 6.336 0.523 93.336 o
-4 -4 -5 0.700 0.638 0.248 468.341 o
-4 -4 -4 6.848 6.931 0.491 103.517 o
-4 -4 -3 1.372 0.976 0.229 507.090 o
-4 -4 -2 4.799 5.494 0.408 150.026 o
-4 -4 -1 4.695 4.661 0.362 184.409 o
-4 -4 0 54.214 52.418 1.748 7.487 o
-4 -3 -9 2.999 2.816 0.561 91.968 o
-4 -3 -8 6.920 5.439 0.583 78.733 o
-4 -3 -7 4.609 6.202 0.560 87.348 o
-4 -3 -6 32.430 31.101 1.486 11.560 o
-4 -3 -5 9.333 8.430 0.539 83.308 o
-4 -3 -4 78.629 79.357 1.412 7.593 o
-4 -3 -3 45.310 46.182 1.558 9.512 o
-4 -3 -2 25.499 24.274 1.076 20.858 o
-4 -3 -1 92.132 93.954 1.486 6.220 o
-4 -3 0 9.099 9.933 0.431 114.293 o
-4 -2 -9 5.704 6.846 0.855 39.614 o
-4 -2 -8 9.300 8.577 1.136 22.555 o
-4 -2 -7 1.561 2.615 0.670 66.881 o
-4 -2 -6 24.271 27.564 0.897 27.282 o
-4 -2 -5 5.741 5.916 0.714 55.596 o
-4 -2 -4 44.338 45.169 0.977 17.678 o
-4 -2 -3 4.665 6.530 0.670 62.988 o
-4 -2 -2 21.284 22.805 0.610 48.613 o
-4 -2 -1 7.395 7.316 0.348 168.505 o
-4 -2 0 38.331 38.842 0.752 25.939 o
-4 -1 -10 1.997 2.600 0.352 221.827 o
-4 -1 -9 16.066 17.093 0.631 53.764 o
-4 -1 -8 4.230 4.479 0.352 196.918 o
-4 -1 -7 4.196 4.160 0.324 225.761 o
-4 -1 -6 42.761 43.037 0.745 23.797 o
-4 -1 -5 15.167 16.941 0.462 81.188 o
-4 -1 -4 96.156 96.598 1.864 4.808 o
-4 -1 -3 61.786 60.959 1.101 12.045 o
-4 -1 -2 96.945 99.666 1.437 6.054 o
-4 -1 -1 384.764 378.664 4.195 0.545 o
-4 -1 0 3.956 3.785 0.248 339.129 o
-4 1 1 12.704 12.210 0.642 57.787 o
-4 2 1 22.882 23.765 0.928 26.919 o
-4 2 2 3.965 3.534 0.343 211.237 o
-4 2 3 20.496 20.258 0.634 48.157 o
-4 2 4 118.599 116.426 1.762 4.202 o
-4 2 5 1.490 1.793 0.303 301.000 o
-4 3 1 69.317 70.885 1.820 6.194 o
-4 3 2 47.297 51.842 1.122 14.196 o
-4 3 3 3.826 3.782 0.386 174.076 o
-4 3 4 87.804 91.028 1.558 6.194 o
-4 3 5 42.494 44.044 1.042 16.855 o
-4 3 6 19.522 20.394 0.803 35.342 o
-4 3 7 29.834 29.704 0.944 23.597 o
-4 3 8 15.111 15.367 0.831 36.429 o
-4 4 1 0.989 0.908 0.392 192.556 o
-4 4 2 2.435 2.463 0.360 209.914 o
-4 4 3 0.454 0.465 0.306 320.052 o
-4 4 4 31.863 33.054 0.943 22.679 o
-4 4 5 9.498 10.447 0.651 60.232 o
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-4 4 8 50.824 49.179 1.333 11.278 o
-4 4 9 3.707 3.495 0.555 92.077 o
-4 4 10 10.874 12.552 0.955 30.320 o
-4 5 1 24.195 22.903 0.942 26.068 o
-4 5 2 6.612 6.957 0.589 76.692 o
-4 5 3 2.663 3.215 0.435 146.854 o
-4 5 4 15.078 14.018 0.798 39.166 o
-4 5 5 22.960 21.115 0.897 28.710 o
-4 5 6 17.665 18.112 1.078 22.750 o
-4 5 7 22.620 21.296 0.956 26.116 o
-4 5 8 11.537 12.029 0.845 37.464 o
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-4 5 10 2.670 1.737 0.581 87.327 o
-4 6 1 3.509 4.110 0.874 39.066 o
-4 6 2 3.021 3.475 0.506 110.709 o
-4 6 3 1.735 1.329 0.368 210.383 o
-4 6 4 7.258 9.059 0.719 52.953 o
-4 6 5 8.083 8.628 0.700 55.091 o
-4 6 6 3.688 3.582 0.557 91.485 o
-4 6 7 8.235 8.976 0.918 33.753 o
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-4 6 9 0.199 0.288 0.547 102.754 o
-4 7 1 13.198 11.834 0.883 34.176 o
-4 7 2 15.119 12.751 0.904 32.088 o
-4 7 3 1.686 1.708 0.497 119.423 o
-4 7 4 1.867 1.884 0.517 110.349 o
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-4 7 6 1.822 1.197 0.528 106.614 o
-4 7 7 4.314 5.188 0.719 55.995 o
-4 7 8 6.707 8.174 1.534 12.813 o
-4 8 1 0.977 -0.178 0.462 142.189 o
-4 8 2 6.917 5.808 0.744 50.902 o
-4 8 3 5.536 5.288 0.792 46.103 o
-4 8 4 2.939 2.621 0.640 71.868 o
-4 8 5 3.348 2.382 0.615 77.300 o
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-3 -8 -5 3.947 3.193 0.513 106.130 o
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-3 -5 -6 20.341 19.888 0.830 33.416 o
-3 -5 -5 7.244 7.479 0.507 96.810 o
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-3 -4 -9 0.187 0.498 0.250 479.784 o
-3 -4 -8 21.372 22.753 0.600 49.514 o
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-3 -4 -6 0.624 0.914 0.195 721.617 o
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-3 -4 -4 9.279 8.925 0.757 47.179 o
-3 -4 -3 61.078 62.282 1.142 11.639 o
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-3 -4 -1 5.225 5.298 0.678 61.699 o
-3 -4 0 19.828 20.233 0.999 25.138 o
-3 -3 -10 1.459 1.609 0.319 274.959 o
-3 -3 -9 4.562 4.339 0.351 195.345 o
-3 -3 -8 3.733 3.470 0.327 230.126 o
-3 -3 -7 16.309 17.736 0.509 70.100 o
-3 -3 -6 21.370 21.695 0.505 60.248 o
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-3 -3 -3 28.984 30.851 1.035 20.808 o
-3 -3 -2 58.930 60.351 1.049 13.005 o
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-3 -2 -11 2.908 2.435 0.376 191.746 o
-3 -2 -10 1.313 1.190 0.297 317.654 o
-3 -2 -9 8.555 8.949 0.454 109.196 o
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-3 -2 -6 13.920 13.859 0.409 100.228 o
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-3 -2 -3 45.376 44.331 0.876 19.648 o
-3 -2 -2 0.885 0.863 0.108 1741.380 o
-3 -2 -1 39.803 39.827 0.635 29.063 o
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-3 -1 -11 12.252 12.869 0.677 53.320 o
-3 -1 -10 7.004 7.227 0.477 107.533 o
-3 -1 -9 6.689 7.448 0.433 125.946 o
-3 -1 -8 11.100 11.425 0.483 91.060 o
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-3 -1 -6 56.195 57.555 0.833 16.520 o
-3 -1 -5 3.493 2.994 0.218 426.783 o
-3 -1 -4 86.155 87.977 0.972 9.091 o
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-3 -1 -2 25.526 25.370 0.345 68.567 o
-3 -1 -1 4.927 5.262 0.173 442.977 o
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-3 1 9 4.745 5.136 0.504 105.890 o
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-3 2 3 80.082 79.607 1.060 9.514 o
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-3 2 5 62.511 61.823 1.311 9.971 o
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-3 2 9 21.495 21.758 0.890 29.383 o
-3 2 10 1.158 1.192 0.363 220.605 o
-3 2 11 6.904 7.368 0.708 55.153 o
-3 2 12 12.581 13.882 1.014 26.715 o
-3 3 1 1.040 1.110 0.321 280.021 o
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