#------------------------------------------------------------------------------
#$Date: 2021-09-22 04:47:00 +0300 (Wed, 22 Sep 2021) $
#$Revision: 269240 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108882.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_2108882
_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                 97.065(2)
_cell_angle_gamma                90
_cell_length_a                   5.1651(2)
_cell_length_b                   7.2324(2)
_cell_length_c                   9.4957(3)
_cell_volume                     352.03(2)
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_cod_data_source_file            um5050HMTX18sup8.hkl
_cod_data_source_block           HMTX18
_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 3.033 2.002 3.813 4.051 o
-7 -2 -1 71.630 78.629 2.806 7.154 o
-7 -2 0 25.502 25.718 2.329 10.776 o
-7 -1 -2 1.856 1.546 0.998 59.084 o
-7 -1 -1 72.197 68.687 2.628 8.137 o
-7 -1 0 56.447 56.312 2.526 8.938 o
-7 0 1 1.158 2.238 0.950 65.332 o
-7 0 2 4.880 3.951 1.596 23.106 o
-7 0 3 48.363 49.515 4.468 2.929 o
-7 0 4 3.173 4.061 1.454 27.872 o
-7 0 5 7.395 5.379 1.296 35.025 o
-7 1 1 4.613 3.619 1.058 52.555 o
-7 1 2 4.656 3.704 1.277 36.086 o
-7 1 3 22.124 23.610 1.866 16.755 o
-7 1 4 20.955 25.011 1.935 15.599 o
-7 1 5 7.232 11.653 2.343 10.726 o
-7 2 1 24.658 30.681 3.719 4.246 o
-7 2 2 68.432 66.851 2.774 7.363 o
-7 2 3 103.506 102.141 3.279 5.142 o
-7 2 4 14.161 16.971 2.746 7.797 o
-7 3 1 4.076 5.312 1.183 42.080 o
-7 3 2 1.498 4.198 1.833 17.535 o
-7 3 3 22.656 17.678 3.370 5.174 o
-6 -5 -2 17.139 16.581 2.279 11.297 o
-6 -5 -1 26.091 29.020 2.480 9.501 o
-6 -5 0 102.882 104.895 7.302 1.090 o
-6 -4 -4 19.247 19.926 1.758 18.919 o
-6 -4 -3 47.223 44.353 2.146 12.405 o
-6 -4 -2 28.416 30.384 1.906 15.963 o
-6 -4 -1 1.731 2.842 2.062 13.861 o
-6 -4 0 15.821 12.072 1.727 19.665 o
-6 -3 -5 29.261 28.707 2.883 7.042 o
-6 -3 -4 38.010 39.505 2.195 11.980 o
-6 -3 -3 30.953 32.787 1.923 15.649 o
-6 -3 -2 20.862 19.857 1.557 24.037 o
-6 -3 -1 57.490 61.305 2.272 10.924 o
-6 -3 0 25.161 25.102 1.670 20.805 o
-6 -2 -6 32.124 33.744 2.398 10.122 o
-6 -2 -5 24.277 24.030 1.847 17.070 o
-6 -2 -4 24.272 20.543 2.202 12.066 o
-6 -2 -3 10.631 11.382 1.792 18.294 o
-6 -2 -2 34.122 35.802 2.347 10.544 o
-6 -2 -1 7.146 6.355 1.074 50.929 o
-6 -2 0 47.765 52.175 2.096 12.938 o
-6 -1 -6 15.249 15.618 1.560 24.039 o
-6 -1 -5 1.816 0.901 1.042 54.248 o
-6 -1 -4 18.460 20.019 1.599 22.837 o
-6 -1 -3 1.008 1.432 0.831 85.392 o
-6 -1 -2 9.795 8.845 1.323 33.558 o
-6 -1 -1 43.993 45.283 4.036 3.587 o
-6 -1 0 4.812 4.481 0.956 64.370 o
-6 0 1 80.041 81.265 2.345 9.940 o
-6 0 2 26.734 24.874 1.525 24.861 o
-6 0 3 11.926 9.703 1.187 41.543 o
-6 0 4 2.092 1.972 0.793 93.579 o
-6 0 5 24.435 25.474 1.827 17.443 o
-6 0 6 11.348 12.904 1.479 26.816 o
-6 0 7 1.584 0.911 2.125 13.047 o
-6 0 8 5.085 5.197 1.184 41.978 o
-6 0 9 0.859 0.466 1.127 46.368 o
-6 1 1 4.478 3.857 0.897 73.146 o
-6 1 2 19.569 20.376 2.963 6.689 o
-6 1 3 46.572 48.575 2.127 12.607 o
-6 1 4 34.905 37.412 2.031 14.001 o
-6 1 5 10.859 9.951 1.298 34.822 o
-6 1 6 32.691 32.847 1.771 18.363 o
-6 1 7 15.654 18.919 1.561 23.989 o
-6 1 8 23.841 23.229 1.708 19.952 o
-6 1 9 14.262 14.981 1.792 18.275 o
-6 2 1 52.013 52.781 1.934 15.019 o
-6 2 2 1.365 2.990 0.823 86.950 o
-6 2 3 29.844 29.291 2.429 9.885 o
-6 2 4 13.183 12.850 1.312 34.006 o
-6 2 5 56.522 57.850 2.305 10.654 o
-6 2 6 17.142 19.769 1.466 27.126 o
-6 2 7 11.974 13.953 2.132 12.929 o
-6 2 8 18.683 18.711 2.383 10.332 o
-6 3 1 2.664 3.060 0.904 71.979 o
-6 3 2 4.907 5.458 0.935 67.243 o
-6 3 3 46.315 45.670 4.286 3.182 o
-6 3 4 62.326 70.824 4.434 2.954 o
-6 3 5 17.895 14.544 2.542 9.089 o
-6 3 6 40.878 49.148 3.079 6.132 o
-6 3 7 55.328 55.483 3.344 5.175 o
-6 3 8 22.694 21.207 2.576 8.835 o
-6 4 1 31.540 38.129 4.020 3.628 o
-6 4 2 4.460 5.144 1.537 24.916 o
-6 4 3 16.701 17.205 2.661 8.301 o
-6 4 4 26.623 27.492 3.311 5.351 o
-6 4 5 141.719 153.114 8.274 0.843 o
-6 4 6 17.935 20.922 2.373 10.417 o
-6 4 7 29.158 29.958 2.633 8.429 o
-6 5 1 10.322 10.406 2.247 11.655 o
-6 5 3 0.256 1.951 1.242 38.215 o
-6 5 4 69.585 74.887 5.025 2.302 o
-6 5 5 15.080 16.391 2.054 13.912 o
-5 -7 -2 25.009 27.284 1.922 15.768 o
-5 -7 -1 83.300 85.357 2.217 10.943 o
-5 -7 0 19.791 20.567 1.116 46.339 o
-5 -6 -4 22.051 21.533 3.281 5.455 o
-5 -6 -3 39.958 38.800 1.744 18.727 o
-5 -6 -2 5.382 6.338 0.740 107.063 o
-5 -6 -1 20.693 20.818 1.125 45.514 o
-5 -6 0 78.412 79.558 1.924 14.324 o
-5 -5 -6 17.652 19.778 1.211 39.589 o
-5 -5 -5 35.476 32.657 1.587 22.677 o
-5 -5 -4 3.868 4.786 0.739 107.635 o
-5 -5 -3 63.767 63.613 1.787 17.006 o
-5 -5 -2 31.890 31.156 1.202 39.011 o
-5 -5 -1 34.099 33.951 1.720 19.405 o
-5 -5 0 45.190 44.482 1.255 34.449 o
-5 -4 -7 69.687 70.725 2.068 12.806 o
-5 -4 -6 2.601 2.264 0.744 106.346 o
-5 -4 -5 21.138 23.022 1.171 41.987 o
-5 -4 -4 71.672 73.689 1.591 20.461 o
-5 -4 -3 3.966 4.505 0.588 169.553 o
-5 -4 -2 4.561 4.142 0.514 221.685 o
-5 -4 -1 5.680 5.416 0.955 64.399 o
-5 -4 0 87.664 86.383 1.496 21.477 o
-5 -3 -7 35.136 35.293 1.431 27.660 o
-5 -3 -6 71.413 68.699 1.695 18.401 o
-5 -3 -5 6.073 5.442 0.677 128.019 o
-5 -3 -4 1.477 1.291 0.568 182.796 o
-5 -3 -3 63.017 63.239 1.604 20.765 o
-5 -3 -2 93.318 95.088 1.561 19.494 o
-5 -3 -1 69.764 69.352 1.308 28.994 o
-5 -3 0 167.066 164.457 2.088 9.514 o
-5 -2 -8 24.895 25.733 1.870 16.643 o
-5 -2 -7 14.479 14.231 0.960 62.928 o
-5 -2 -6 11.684 11.336 0.859 78.803 o
-5 -2 -5 29.040 28.809 1.186 40.297 o
-5 -2 -4 25.840 24.286 1.007 55.769 o
-5 -2 -3 49.413 48.367 1.198 36.966 o
-5 -2 -2 13.948 14.424 1.269 36.275 o
-5 -2 -1 62.119 60.344 2.722 7.689 o
-5 -2 0 75.805 71.119 2.000 13.498 o
-5 -1 -8 14.865 15.864 1.185 41.471 o
-5 -1 -7 11.211 12.301 0.928 67.673 o
-5 -1 -6 7.195 6.988 1.096 48.870 o
-5 -1 -5 33.694 33.494 1.723 19.356 o
-5 -1 -4 13.592 13.326 1.156 43.676 o
-5 -1 -3 19.759 19.689 1.352 31.781 o
-5 -1 -2 285.064 283.161 4.037 2.720 o
-5 -1 -1 17.210 18.477 1.274 35.818 o
-5 -1 0 134.915 134.896 4.036 3.366 o
-5 0 1 44.536 44.799 1.544 23.401 o
-5 0 2 197.846 196.384 4.062 3.087 o
-5 0 3 199.151 191.611 3.654 3.702 o
-5 0 4 54.014 49.946 1.982 14.327 o
-5 0 5 107.398 111.864 7.243 1.107 o
-5 0 6 74.240 78.264 2.512 8.807 o
-5 0 7 0.536 -0.275 0.831 85.247 o
-5 0 8 0.013 -0.382 1.638 21.957 o
-5 0 9 45.425 45.219 2.911 6.840 o
-5 0 10 71.653 78.685 2.997 6.306 o
-5 0 11 70.178 72.546 2.871 6.868 o
-5 1 1 6.895 5.870 0.828 85.622 o
-5 1 2 60.211 56.888 2.671 7.998 o
-5 1 3 30.860 31.527 1.643 21.324 o
-5 1 4 18.265 17.416 1.392 30.082 o
-5 1 5 9.210 8.880 1.252 37.480 o
-5 1 6 12.390 12.987 1.403 29.783 o
-5 1 7 33.241 35.021 1.849 16.850 o
-5 1 8 15.943 16.113 1.576 23.573 o
-5 1 9 8.906 10.805 1.433 28.604 o
-5 1 10 51.498 56.160 2.495 9.189 o
-5 2 1 21.520 20.980 1.193 40.500 o
-5 2 2 101.571 96.889 2.452 8.824 o
-5 2 3 163.691 157.640 4.979 2.221 o
-5 2 4 16.340 14.827 1.731 19.551 o
-5 2 5 168.905 168.766 3.295 4.621 o
-5 2 6 44.171 41.431 1.611 21.667 o
-5 2 7 3.283 3.160 0.933 67.625 o
-5 2 8 4.059 4.414 1.857 17.074 o
-5 2 9 14.139 12.404 2.005 14.604 o
-5 2 10 27.621 25.739 3.252 5.546 o
-5 3 1 14.814 15.119 2.003 14.633 o
-5 3 2 10.400 11.540 1.157 43.770 o
-5 3 3 1.317 0.892 0.656 136.745 o
-5 3 4 30.033 36.118 3.547 4.656 o
-5 3 5 49.723 51.479 2.591 8.561 o
-5 3 6 2.750 2.613 2.247 11.670 o
-5 3 7 17.724 15.991 1.857 16.984 o
-5 3 8 42.357 46.424 3.113 6.002 o
-5 3 9 4.346 2.563 1.833 17.533 o
-5 3 10 11.718 13.793 3.163 5.882 o
-5 4 1 90.968 92.429 1.748 16.326 o
-5 4 2 27.241 26.157 1.288 34.527 o
-5 4 3 77.831 76.924 1.558 20.852 o
-5 4 4 77.341 80.208 1.900 14.662 o
-5 4 5 10.408 10.802 1.522 25.349 o
-5 4 6 22.337 24.191 2.320 10.875 o
-5 4 7 11.472 9.959 1.981 14.987 o
-5 4 8 59.483 58.128 3.314 5.254 o
-5 4 9 21.977 18.486 5.705 1.808 o
-5 5 1 101.969 103.481 1.992 12.625 o
-5 5 2 14.308 14.395 1.178 42.050 o
-5 5 3 8.634 9.807 0.765 99.800 o
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-5 5 5 37.091 37.851 1.652 20.871 o
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-5 6 1 36.228 35.749 1.234 36.614 o
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-5 6 4 12.454 13.752 0.709 114.757 o
-5 6 5 13.120 14.429 0.780 94.956 o
-5 6 6 34.905 34.770 2.560 8.879 o
-5 6 7 27.412 28.963 1.857 16.825 o
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-5 7 4 13.940 16.588 1.242 37.859 o
-4 -8 -3 2.589 2.573 0.591 168.331 o
-4 -8 -2 10.496 11.586 0.934 66.894 o
-4 -8 -1 23.263 24.431 1.116 45.961 o
-4 -8 0 95.706 103.572 4.139 3.315 o
-4 -7 -5 49.154 47.051 2.099 12.917 o
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-4 -7 -3 76.025 76.770 3.311 5.191 o
-4 -7 -2 33.570 33.066 1.211 38.251 o
-4 -7 -1 2.226 2.667 0.498 236.971 o
-4 -7 0 54.495 53.501 3.074 6.107 o
-4 -6 -7 49.698 50.165 2.779 7.470 o
-4 -6 -6 6.680 6.672 0.841 83.024 o
-4 -6 -5 3.074 3.222 0.640 143.776 o
-4 -6 -4 21.353 20.811 1.063 50.822 o
-4 -6 -3 1.259 1.209 0.498 237.230 o
-4 -6 -2 13.348 12.877 0.899 71.870 o
-4 -6 -1 1.211 1.380 0.439 305.301 o
-4 -6 0 131.459 126.394 4.493 2.765 o
-4 -5 -8 36.235 36.111 2.466 9.549 o
-4 -5 -7 16.049 16.941 1.097 48.250 o
-4 -5 -6 6.254 6.282 0.764 100.554 o
-4 -5 -5 14.285 15.297 0.959 63.116 o
-4 -5 -4 89.542 91.648 1.839 15.021 o
-4 -5 -3 203.439 203.453 3.390 4.137 o
-4 -5 -2 46.513 46.062 1.843 16.641 o
-4 -5 -1 72.501 70.807 2.219 11.187 o
-4 -5 0 7.595 6.041 0.936 67.051 o
-4 -4 -9 74.252 76.144 2.194 11.359 o
-4 -4 -8 14.493 16.678 1.169 42.651 o
-4 -4 -7 25.986 24.951 1.272 35.431 o
-4 -4 -6 44.483 42.575 1.465 25.904 o
-4 -4 -5 8.444 9.437 0.736 107.643 o
-4 -4 -4 35.684 35.563 1.031 51.374 o
-4 -4 -3 5.395 5.804 1.140 45.260 o
-4 -4 -2 6.121 6.189 0.544 197.703 o
-4 -4 -1 18.782 20.494 1.046 52.692 o
-4 -4 0 120.823 116.769 1.948 12.428 o
-4 -3 -9 11.119 11.757 1.048 53.231 o
-4 -3 -8 31.381 31.146 1.282 34.461 o
-4 -3 -7 15.972 15.653 0.964 62.279 o
-4 -3 -6 101.563 100.938 1.778 15.332 o
-4 -3 -5 11.292 10.776 0.790 93.109 o
-4 -3 -4 188.329 185.749 2.297 7.745 o
-4 -3 -3 153.949 153.423 1.975 10.770 o
-4 -3 -2 49.848 50.022 0.990 51.398 o
-4 -3 -1 255.225 250.968 2.530 5.521 o
-4 -3 0 17.451 16.407 0.900 71.070 o
-4 -2 -10 22.680 23.835 1.007 56.104 o
-4 -2 -9 28.579 28.875 0.828 79.685 o
-4 -2 -8 41.915 40.902 1.389 28.820 o
-4 -2 -7 3.440 3.795 0.670 131.106 o
-4 -2 -6 99.762 102.393 1.759 15.648 o
-4 -2 -5 33.486 33.985 1.580 22.899 o
-4 -2 -4 141.703 140.406 1.893 12.007 o
-4 -2 -3 12.275 11.970 0.593 162.962 o
-4 -2 -2 31.267 32.188 0.779 87.543 o
-4 -2 -1 14.036 13.078 0.638 140.413 o
-4 -2 0 59.597 58.914 1.032 45.374 o
-4 -1 -10 16.614 18.517 0.839 81.393 o
-4 -1 -9 66.311 69.334 1.127 37.516 o
-4 -1 -8 11.980 12.024 0.495 231.108 o
-4 -1 -7 23.992 24.877 0.614 141.730 o
-4 -1 -6 124.675 124.793 1.428 19.189 o
-4 -1 -5 31.560 32.528 0.824 78.973 o
-4 -1 -4 235.172 232.862 3.437 3.811 o
-4 -1 -3 147.257 148.215 1.831 12.280 o
-4 -1 -2 183.646 181.007 2.033 9.279 o
-4 -1 -1 772.930 771.618 6.874 0.678 o
-4 -1 0 16.415 15.592 1.210 39.777 o
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-4 0 2 0.057 0.386 0.411 349.419 o
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-4 0 5 9.771 11.072 1.165 43.204 o
-4 0 6 26.169 26.245 1.452 27.365 o
-4 0 7 49.605 49.105 2.006 14.068 o
-4 0 8 8.264 9.552 1.252 37.439 o
-4 0 9 0.341 -0.366 0.613 156.654 o
-4 0 10 121.238 122.371 2.826 6.571 o
-4 0 11 215.956 223.723 3.948 3.141 o
-4 0 12 0.365 0.037 1.434 28.662 o
-4 1 1 21.526 21.665 1.138 44.449 o
-4 1 2 60.074 59.590 1.579 21.576 o
-4 1 3 17.586 20.145 1.181 41.572 o
-4 1 4 287.707 287.334 4.655 2.170 o
-4 1 5 60.670 63.837 2.188 11.694 o
-4 1 6 251.987 260.234 5.085 1.954 o
-4 1 7 255.300 259.197 4.080 2.804 o
-4 1 8 9.123 10.679 1.250 37.547 o
-4 1 9 37.788 40.582 2.051 13.678 o
-4 1 10 11.307 12.503 1.442 28.215 o
-4 1 11 2.952 3.699 0.904 71.952 o
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-4 2 1 34.928 34.486 0.885 68.215 o
-4 2 2 4.684 6.020 0.614 155.658 o
-4 2 3 32.449 31.204 0.678 111.698 o
-4 2 4 203.397 203.456 2.256 7.519 o
-4 2 5 3.689 3.964 0.384 397.001 o
-4 2 6 8.829 7.774 0.932 67.465 o
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-4 2 9 35.298 35.630 2.794 7.467 o
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-4 2 11 61.135 62.911 3.961 3.696 o
-4 3 1 196.396 192.717 2.568 6.460 o
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-4 3 3 6.764 7.274 0.502 230.499 o
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-4 5 1 76.925 76.223 1.555 20.990 o
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-4 5 5 81.941 82.667 1.877 14.829 o
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-4 5 7 88.729 89.569 1.785 15.865 o
-4 5 8 9.266 9.597 0.666 131.109 o
-4 5 9 90.441 87.774 1.914 14.048 o
-4 5 10 8.137 7.049 1.016 56.905 o
-4 6 1 5.971 6.460 0.611 156.990 o
-4 6 2 12.089 12.254 0.657 133.487 o
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-4 6 4 15.836 15.962 0.741 104.159 o
-4 6 5 15.291 15.410 0.788 92.504 o
-4 6 6 29.022 30.243 1.551 23.906 o
-4 6 7 23.687 24.520 0.969 60.258 o
-4 6 8 19.799 20.623 0.953 62.972 o
-4 6 9 9.247 8.872 0.792 93.029 o
-4 7 1 29.317 31.395 1.178 40.691 o
-4 7 2 51.433 52.035 1.491 24.534 o
-4 7 3 9.046 9.182 0.689 122.785 o
-4 7 4 5.030 5.599 0.608 158.399 o
-4 7 5 34.702 34.302 1.246 36.093 o
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-4 8 1 4.127 4.414 0.580 174.740 o
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