#------------------------------------------------------------------------------
#$Date: 2021-09-22 04:47:00 +0300 (Wed, 22 Sep 2021) $
#$Revision: 269240 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108883.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_2108883
_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                 97.316(3)
_cell_angle_gamma                90
_cell_length_a                   5.1656(2)
_cell_length_b                   7.2761(3)
_cell_length_c                   9.4978(3)
_cell_volume                     354.07(2)
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_cod_data_source_file            um5050HMTX19sup9.hkl
_cod_data_source_block           HMTX19
_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
-7 -3 0 2.069 2.564 0.934 99.861 o
-7 -2 -1 45.007 50.762 3.085 9.033 o
-7 -2 0 15.627 16.755 1.353 47.212 o
-7 -1 -2 2.166 1.062 0.754 153.112 o
-7 -1 -1 40.334 43.536 2.234 17.109 o
-7 -1 0 36.841 35.861 3.583 6.743 o
-7 0 1 1.544 1.708 1.201 60.423 o
-7 0 2 3.558 2.016 0.767 147.870 o
-7 0 3 28.840 30.708 2.022 21.036 o
-7 0 4 1.730 1.937 1.178 62.745 o
-7 0 5 5.998 4.732 0.967 92.968 o
-7 1 1 3.078 2.473 0.856 118.887 o
-7 1 2 2.867 2.028 1.782 27.425 o
-7 1 3 15.435 15.236 2.004 21.609 o
-7 1 4 14.108 16.181 1.881 24.535 o
-7 1 5 5.259 5.772 0.934 99.553 o
-7 2 1 13.738 13.019 2.333 15.964 o
-7 2 2 43.585 44.230 1.899 23.443 o
-7 2 3 66.142 67.238 4.645 3.989 o
-7 2 4 9.952 11.661 1.510 38.109 o
-7 2 5 17.964 18.817 2.657 12.304 o
-7 3 1 2.915 1.643 0.716 169.992 o
-7 3 3 17.199 15.133 2.022 21.229 o
-6 -5 -2 8.193 7.911 1.455 41.054 o
-6 -5 -1 15.071 14.899 3.119 8.941 o
-6 -5 0 66.349 68.207 6.065 2.351 o
-6 -4 -4 11.440 11.464 1.542 36.497 o
-6 -4 -3 29.840 29.571 1.599 33.406 o
-6 -4 -2 18.046 17.702 1.381 45.235 o
-6 -4 -1 2.118 1.945 0.921 102.731 o
-6 -4 0 11.272 13.205 2.368 15.507 o
-6 -3 -5 16.685 16.152 1.451 41.058 o
-6 -3 -4 23.980 25.647 2.042 20.721 o
-6 -3 -3 22.591 23.737 1.475 39.506 o
-6 -3 -2 8.953 8.267 1.030 81.700 o
-6 -3 -1 35.458 37.957 1.616 32.414 o
-6 -3 0 16.505 15.331 1.767 27.748 o
-6 -2 -5 16.265 16.875 1.442 41.596 o
-6 -2 -4 16.419 16.584 1.859 25.085 o
-6 -2 -3 6.087 5.360 0.892 109.103 o
-6 -2 -2 25.445 25.718 1.413 42.838 o
-6 -2 -1 4.758 4.042 0.814 131.266 o
-6 -2 0 34.637 35.430 1.554 35.037 o
-6 -1 -6 6.956 5.730 0.967 92.877 o
-6 -1 -5 1.109 0.600 0.755 152.781 o
-6 -1 -4 12.099 11.277 1.142 66.361 o
-6 -1 -3 0.629 0.170 0.604 238.679 o
-6 -1 -2 6.171 5.133 0.900 107.268 o
-6 -1 -1 27.720 27.296 1.500 37.981 o
-6 -1 0 4.165 3.613 0.729 163.630 o
-6 0 1 57.923 55.409 2.418 14.438 o
-6 0 2 16.007 16.828 1.101 71.007 o
-6 0 3 9.379 10.018 1.655 31.739 o
-6 0 4 1.929 0.920 1.199 60.577 o
-6 0 5 16.392 19.187 1.432 42.120 o
-6 0 6 6.453 7.820 1.421 43.060 o
-6 0 7 0.531 0.459 1.976 22.309 o
-6 0 8 2.867 2.854 0.826 127.625 o
-6 0 9 1.051 0.851 0.851 120.188 o
-6 1 1 2.896 2.342 1.276 53.515 o
-6 1 2 13.733 12.664 1.964 22.523 o
-6 1 3 33.274 34.938 1.510 37.134 o
-6 1 4 24.914 25.098 1.735 28.580 o
-6 1 5 8.530 9.021 1.046 79.287 o
-6 1 6 27.662 26.424 1.692 29.962 o
-6 1 7 10.956 11.535 1.167 63.599 o
-6 1 8 17.809 17.616 2.468 14.259 o
-6 1 9 9.701 10.427 1.266 54.123 o
-6 2 1 36.044 34.347 2.391 15.044 o
-6 2 2 1.472 3.448 3.086 9.143 o
-6 2 3 24.305 24.196 1.290 51.323 o
-6 2 4 9.468 10.065 1.008 85.186 o
-6 2 5 40.884 39.910 2.547 13.236 o
-6 2 6 10.776 11.271 1.043 79.538 o
-6 2 7 7.944 10.375 1.566 35.467 o
-6 2 8 13.017 13.197 2.801 11.084 o
-6 3 1 2.444 1.772 0.540 298.703 o
-6 3 2 3.017 2.866 0.590 249.604 o
-6 3 3 32.337 33.108 1.759 27.595 o
-6 3 4 45.530 48.974 2.830 10.706 o
-6 3 5 12.888 13.169 1.848 25.422 o
-6 3 6 24.379 32.130 6.149 2.301 o
-6 3 7 36.119 40.210 2.536 13.369 o
-6 3 8 14.148 12.593 1.730 28.992 o
-6 4 1 19.540 23.450 1.906 23.809 o
-6 4 2 4.150 2.830 0.924 101.881 o
-6 4 3 12.427 12.130 1.675 30.945 o
-6 4 4 16.592 16.115 1.906 23.870 o
-6 4 5 96.802 105.444 3.386 7.236 o
-6 4 6 11.533 11.333 1.528 37.191 o
-6 4 7 22.069 24.516 2.105 19.531 o
-6 5 1 8.897 10.917 1.502 38.528 o
-6 5 2 2.333 4.852 0.982 90.276 o
-6 5 3 0.140 0.116 0.693 181.288 o
-6 5 4 50.106 53.682 3.985 5.432 o
-6 5 5 13.622 16.990 2.888 10.427 o
-6 6 2 15.878 24.548 2.079 20.049 o
-5 -7 -2 16.173 19.130 2.232 17.431 o
-5 -7 -1 47.257 48.902 5.343 3.037 o
-5 -7 0 12.857 14.455 1.944 22.985 o
-5 -6 -4 13.226 10.438 2.192 18.093 o
-5 -6 -3 26.898 24.604 2.615 12.666 o
-5 -6 -2 4.768 4.869 1.560 35.778 o
-5 -6 -1 14.538 15.259 1.926 23.393 o
-5 -6 0 55.905 56.552 4.592 4.095 o
-5 -5 -6 11.676 10.643 1.640 32.295 o
-5 -5 -5 25.939 24.012 1.897 23.967 o
-5 -5 -4 3.216 5.379 1.793 27.096 o
-5 -5 -3 45.630 42.519 3.087 9.028 o
-5 -5 -2 19.974 21.786 1.809 26.415 o
-5 -5 -1 22.953 21.377 1.378 45.163 o
-5 -5 0 29.683 29.530 1.633 32.046 o
-5 -4 -7 45.660 42.157 2.701 11.754 o
-5 -4 -6 1.417 1.486 1.223 58.193 o
-5 -4 -5 13.457 12.814 1.191 60.945 o
-5 -4 -4 49.153 50.124 1.662 29.991 o
-5 -4 -3 2.293 1.885 0.866 115.961 o
-5 -4 -2 4.625 3.599 0.693 181.035 o
-5 -4 -1 5.261 5.157 0.697 178.479 o
-5 -4 0 63.569 61.768 2.669 11.846 o
-5 -3 -7 22.233 23.328 1.550 35.794 o
-5 -3 -6 46.962 46.836 1.705 28.699 o
-5 -3 -5 3.548 3.010 0.771 146.437 o
-5 -3 -4 0.968 0.738 0.702 176.555 o
-5 -3 -3 43.483 43.346 1.481 37.860 o
-5 -3 -2 71.415 73.633 1.825 24.005 o
-5 -3 -1 55.623 54.519 2.131 18.465 o
-5 -3 0 128.687 124.413 2.125 15.995 o
-5 -2 -8 16.912 16.864 1.272 53.311 o
-5 -2 -7 8.877 8.721 0.999 86.933 o
-5 -2 -6 8.086 8.583 1.007 85.488 o
-5 -2 -5 20.619 22.369 1.451 40.875 o
-5 -2 -4 18.081 17.841 1.093 71.737 o
-5 -2 -3 38.470 37.468 1.322 47.536 o
-5 -2 -2 11.844 10.054 0.955 94.783 o
-5 -2 -1 41.899 39.908 1.457 39.247 o
-5 -2 0 58.890 56.706 2.701 11.627 o
-5 -1 -8 10.396 11.512 1.098 71.893 o
-5 -1 -7 6.238 6.934 0.897 107.921 o
-5 -1 -6 4.879 5.175 0.831 125.798 o
-5 -1 -5 23.313 22.636 1.297 50.849 o
-5 -1 -4 10.826 9.899 0.917 102.809 o
-5 -1 -3 16.820 15.947 1.277 52.900 o
-5 -1 -2 222.913 221.868 3.619 5.465 o
-5 -1 -1 13.440 14.079 1.617 33.159 o
-5 -1 0 103.405 103.113 2.843 10.017 o
-5 0 1 38.975 38.100 2.251 16.902 o
-5 0 2 169.040 166.694 2.862 8.874 o
-5 0 3 170.520 163.003 8.489 1.182 o
-5 0 4 37.499 36.372 3.250 8.185 o
-5 0 5 83.585 85.277 2.365 14.521 o
-5 0 6 65.038 67.438 1.982 20.860 o
-5 0 7 0.058 0.547 0.620 226.689 o
-5 0 8 0.006 0.036 0.740 158.914 o
-5 0 9 38.073 36.397 1.807 26.023 o
-5 0 10 61.043 65.768 2.937 9.838 o
-5 0 11 55.930 58.391 2.268 16.343 o
-5 1 1 5.723 4.558 1.407 43.931 o
-5 1 2 41.703 41.588 3.051 9.255 o
-5 1 3 25.686 25.888 2.576 13.052 o
-5 1 4 17.093 16.191 1.325 49.165 o
-5 1 5 7.099 8.044 0.903 106.369 o
-5 1 6 11.351 12.585 1.063 76.466 o
-5 1 7 26.489 26.945 1.925 23.247 o
-5 1 8 13.572 11.521 1.164 63.814 o
-5 1 9 5.926 5.726 1.132 67.889 o
-5 1 10 40.614 46.901 1.956 22.158 o
-5 2 1 17.774 18.542 1.084 72.987 o
-5 2 2 82.462 80.112 2.395 14.236 o
-5 2 3 127.323 126.778 3.007 8.736 o
-5 2 4 11.884 11.498 0.937 98.245 o
-5 2 5 133.145 132.680 2.841 9.582 o
-5 2 6 35.436 37.769 2.918 10.140 o
-5 2 7 1.436 0.601 0.673 192.521 o
-5 2 8 2.715 1.372 1.762 28.060 o
-5 2 9 10.539 9.377 1.495 38.875 o
-5 2 10 22.178 24.469 2.082 19.958 o
-5 3 1 12.102 12.294 0.869 113.996 o
-5 3 2 8.146 10.249 0.865 115.632 o
-5 3 3 1.086 1.161 0.476 384.221 o
-5 3 4 24.726 23.867 3.072 9.193 o
-5 3 5 34.756 36.392 2.036 20.657 o
-5 3 6 2.941 3.217 2.917 10.236 o
-5 3 7 17.134 14.796 1.549 36.078 o
-5 3 8 38.164 39.477 3.321 7.835 o
-5 3 9 5.228 4.870 1.255 55.201 o
-5 3 10 9.524 9.660 1.483 39.518 o
-5 4 1 71.907 75.650 3.011 9.292 o
-5 4 2 19.366 19.572 1.038 79.196 o
-5 4 3 58.216 60.162 2.691 11.702 o
-5 4 4 55.446 56.481 1.864 23.830 o
-5 4 5 7.248 8.159 1.094 72.611 o
-5 4 6 16.480 18.451 1.734 28.790 o
-5 4 7 6.645 5.885 2.513 13.791 o
-5 4 8 41.795 41.807 2.489 13.834 o
-5 4 9 15.240 15.780 1.760 27.992 o
-5 5 1 67.403 71.760 1.985 20.679 o
-5 5 2 10.725 10.306 0.884 110.522 o
-5 5 3 7.410 8.324 0.832 125.092 o
-5 5 4 5.584 6.086 0.711 171.749 o
-5 5 5 28.141 31.055 1.339 47.282 o
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-5 5 7 1.917 0.757 0.883 111.595 o
-5 5 8 8.824 6.115 1.372 46.146 o
-5 6 1 26.563 28.186 1.809 26.278 o
-5 6 2 5.322 5.745 0.738 159.433 o
-5 6 3 25.406 31.840 2.434 14.599 o
-5 6 4 7.850 8.342 0.802 134.756 o
-5 6 5 11.458 10.895 0.994 87.488 o
-5 6 6 24.514 25.938 1.304 50.161 o
-5 6 7 13.626 15.279 1.342 48.034 o
-5 7 1 41.184 47.702 5.083 3.357 o
-5 7 2 36.956 43.563 4.447 4.384 o
-5 7 3 15.328 18.319 1.661 31.389 o
-5 7 4 7.646 11.914 2.166 18.545 o
-5 7 5 3.702 3.533 0.995 87.899 o
-4 -8 -3 0.996 1.568 1.310 50.719 o
-4 -8 -2 7.225 8.516 1.653 31.828 o
-4 -8 -1 13.553 15.392 1.904 23.950 o
-4 -8 0 62.603 76.584 7.220 1.662 o
-4 -7 -5 32.410 26.433 2.518 13.619 o
-4 -7 -4 19.711 17.630 3.523 7.004 o
-4 -7 -3 51.829 48.340 7.509 1.541 o
-4 -7 -2 22.090 22.501 2.107 19.484 o
-4 -7 -1 1.015 2.105 1.130 68.143 o
-4 -7 0 35.094 26.338 4.910 3.604 o
-4 -6 -7 27.067 22.434 2.700 11.882 o
-4 -6 -6 3.289 1.303 2.426 14.798 o
-4 -6 -5 0.870 1.553 1.421 43.123 o
-4 -6 -4 13.456 12.931 1.857 25.174 o
-4 -6 -3 1.264 0.856 1.219 58.639 o
-4 -6 -2 7.883 7.583 2.484 14.111 o
-4 -6 -1 0.586 1.407 1.473 40.146 o
-4 -6 0 96.792 92.231 7.162 1.681 o
-4 -5 -8 22.379 20.336 1.962 22.459 o
-4 -5 -7 11.735 11.293 1.517 37.723 o
-4 -5 -6 3.694 3.272 1.440 41.990 o
-4 -5 -5 10.661 9.537 2.151 18.800 o
-4 -5 -4 68.743 66.829 2.341 15.153 o
-4 -5 -3 143.201 138.693 4.259 4.514 o
-4 -5 -2 35.450 36.417 1.543 35.493 o
-4 -5 -1 52.203 52.974 1.649 30.270 o
-4 -5 0 7.143 7.012 1.492 39.073 o
-4 -4 -9 50.400 50.520 2.799 10.912 o
-4 -4 -8 9.499 9.601 1.527 37.268 o
-4 -4 -7 16.639 17.809 1.705 29.772 o
-4 -4 -6 28.020 27.931 1.891 24.043 o
-4 -4 -5 4.150 3.655 0.738 159.613 o
-4 -4 -4 24.332 21.673 1.105 69.483 o
-4 -4 -3 3.342 2.343 0.968 92.878 o
-4 -4 -2 5.060 4.960 0.615 229.498 o
-4 -4 -1 14.006 14.787 1.051 78.091 o
-4 -4 0 99.314 96.133 1.942 20.137 o
-4 -3 -9 7.971 7.306 1.450 41.365 o
-4 -3 -8 20.836 21.912 1.257 54.247 o
-4 -3 -7 11.723 11.350 1.106 70.698 o
-4 -3 -6 79.400 77.632 1.897 22.020 o
-4 -3 -5 11.265 10.688 1.222 58.018 o
-4 -3 -4 155.575 154.001 2.448 11.813 o
-4 -3 -3 115.646 113.780 2.953 9.186 o
-4 -3 -2 43.240 43.478 2.549 13.189 o
-4 -3 -1 198.820 195.029 2.568 9.856 o
-4 -3 0 15.374 15.822 1.055 77.323 o
-4 -2 -10 17.468 18.292 1.143 65.709 o
-4 -2 -9 19.658 20.103 0.986 87.638 o
-4 -2 -8 29.357 28.244 1.373 45.037 o
-4 -2 -7 2.403 2.706 0.717 169.362 o
-4 -2 -6 71.256 70.157 1.730 26.529 o
-4 -2 -5 22.150 23.048 1.627 32.548 o
-4 -2 -4 106.616 103.688 1.899 20.515 o
-4 -2 -3 10.104 10.918 0.724 164.030 o
-4 -2 -2 28.365 27.729 0.927 96.225 o
-4 -2 -1 12.398 12.603 0.658 196.808 o
-4 -2 0 53.432 54.100 1.595 32.148 o
-4 -1 -10 10.165 10.626 0.783 140.654 o
-4 -1 -9 47.887 50.643 1.768 26.686 o
-4 -1 -8 9.707 10.467 0.708 171.613 o
-4 -1 -7 15.697 16.514 0.745 153.040 o
-4 -1 -6 97.773 99.189 1.604 27.840 o
-4 -1 -5 26.457 26.832 0.806 126.081 o
-4 -1 -4 192.719 191.538 2.654 9.500 o
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-4 -1 -2 158.330 157.342 2.188 14.003 o
-4 -1 -1 648.450 636.894 9.602 0.750 o
-4 -1 0 11.436 11.387 0.867 114.834 o
-4 0 1 4.874 5.001 0.524 316.037 o
-4 0 2 0.183 0.501 0.953 95.823 o
-4 0 3 122.216 116.172 2.457 12.680 o
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-4 0 5 10.851 9.877 0.846 120.592 o
-4 0 6 23.527 23.954 2.060 20.377 o
-4 0 7 41.332 40.907 1.521 36.142 o
-4 0 8 6.464 5.841 0.889 109.875 o
-4 0 9 0.182 0.694 0.625 223.161 o
-4 0 10 95.213 92.812 2.371 14.198 o
-4 0 11 161.182 160.735 3.230 7.305 o
-4 0 12 0.176 -0.215 0.749 155.219 o
-4 1 1 18.752 17.940 1.124 67.886 o
-4 1 2 52.654 52.753 1.302 46.971 o
-4 1 3 15.687 16.191 1.243 55.836 o
-4 1 4 247.640 245.570 4.161 4.185 o
-4 1 5 52.169 49.396 2.801 10.889 o
-4 1 6 221.619 220.343 7.653 1.419 o
-4 1 7 231.078 232.133 3.829 4.911 o
-4 1 8 7.375 7.708 0.887 110.183 o
-4 1 9 32.973 33.765 2.523 13.547 o
-4 1 10 9.461 9.858 1.459 40.815 o
-4 1 11 3.745 3.532 0.787 140.534 o
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-4 2 1 32.547 32.797 1.062 73.294 o
-4 2 2 4.549 4.784 0.391 566.394 o
-4 2 3 29.424 29.149 0.796 127.603 o
-4 2 4 180.848 180.947 3.241 7.035 o
-4 2 5 2.993 3.581 0.479 378.075 o
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-4 2 9 30.723 31.884 2.179 18.134 o
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-4 5 2 11.509 10.156 0.832 124.589 o
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-4 5 4 22.054 23.092 1.196 59.717 o
-4 5 5 63.842 62.881 1.667 28.932 o
-4 5 6 33.086 33.618 1.789 26.669 o
-4 5 7 65.769 64.333 1.839 24.015 o
-4 5 8 10.459 9.903 0.933 99.289 o
-4 5 9 67.494 68.016 2.151 17.813 o
-4 5 10 6.616 5.681 0.880 112.168 o
-4 6 1 5.291 6.718 1.791 27.149 o
-4 6 2 8.593 9.919 0.790 138.439 o
-4 6 3 7.129 8.433 0.738 159.042 o
-4 6 4 12.850 14.995 1.057 77.247 o
-4 6 5 13.121 13.316 1.351 47.445 o
-4 6 6 18.418 20.942 1.161 63.584 o
-4 6 7 18.095 18.888 1.317 49.642 o
-4 6 8 15.204 17.972 1.326 49.148 o
-4 6 9 4.670 3.969 0.754 152.918 o
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