#------------------------------------------------------------------------------
#$Date: 2021-09-22 04:47:00 +0300 (Wed, 22 Sep 2021) $
#$Revision: 269240 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108887.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_2108887
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           ' P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  ' P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.1690(3)
_cell_length_b                   7.3430(5)
_cell_length_c                   18.8317(13)
_cell_volume                     714.78(8)
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_cod_data_source_file            um5050HOTX23sup13.hkl
_cod_data_source_block           HOTX23
_shelx_refln_list_code           4
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x+1/2,-y+1/2,-z
3 -x,y+1/2,-z+1/2
4 -x+1/2,-y,z+1/2
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
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-8 -4 -4 5.950 3.729 2.651 14.223 o
-8 -4 -3 2.796 3.883 1.986 25.335 o
-8 -4 -2 8.431 8.671 1.800 30.245 o
-8 -4 -1 0.822 1.464 1.281 61.040 o
-8 -3 -7 0.731 -0.129 1.141 77.035 o
-8 -3 -6 3.249 0.794 1.055 88.978 o
-8 -3 -5 2.240 2.078 1.082 84.719 o
-8 -3 -4 5.491 6.013 1.322 55.995 o
-8 -3 -3 9.706 7.818 1.156 70.502 o
-8 -3 -2 1.818 2.786 1.090 83.535 o
-8 -3 -1 9.905 8.062 1.164 69.437 o
-8 -2 -10 12.035 11.463 2.611 14.466 o
-8 -2 -9 2.918 1.068 1.136 76.878 o
-8 -2 -8 14.840 15.669 1.305 53.137 o
-8 -2 -7 8.322 7.722 1.142 72.712 o
-8 -2 -6 10.041 10.960 1.232 61.808 o
-8 -2 -5 2.037 1.153 1.004 98.654 o
-8 -2 -4 19.151 20.314 1.358 47.299 o
-8 -2 -3 4.288 4.068 0.801 148.986 o
-8 -2 -2 14.917 15.393 0.968 89.300 o
-8 -2 -1 1.230 2.064 0.792 157.768 o
-8 -1 -11 2.136 1.871 2.257 19.682 o
-8 -1 -10 12.979 11.548 1.344 51.603 o
-8 -1 -9 1.422 1.554 1.095 83.202 o
-8 -1 -8 3.811 3.493 1.049 88.985 o
-8 -1 -7 13.211 13.033 1.225 60.730 o
-8 -1 -6 5.946 4.938 0.866 125.979 o
-8 -1 -5 1.329 1.217 0.704 199.580 o
-8 -1 -4 0.795 1.052 0.755 174.711 o
-8 -1 -3 5.936 6.123 0.865 125.729 o
-8 -1 -2 8.071 10.274 0.935 104.612 o
-8 -1 -1 0.167 0.425 0.736 184.906 o
-7 -7 -3 2.470 5.224 1.408 50.075 o
-7 -7 -2 2.790 3.350 1.309 57.891 o
-7 -7 -1 0.991 0.928 1.208 68.556 o
-7 -6 -9 3.223 1.979 2.533 15.622 o
-7 -6 -8 2.711 3.738 1.718 33.790 o
-7 -6 -7 4.994 7.364 1.772 31.515 o
-7 -6 -6 5.145 4.293 1.174 70.849 o
-7 -6 -5 0.102 -0.464 1.593 39.626 o
-7 -6 -4 8.040 6.549 1.212 65.299 o
-7 -6 -3 10.003 10.618 1.303 55.691 o
-7 -6 -2 1.021 0.742 1.101 82.518 o
-7 -6 -1 5.659 5.243 1.343 54.366 o
-7 -5 -12 1.477 0.586 1.793 31.197 o
-7 -5 -11 0.860 -0.057 1.602 39.112 o
-7 -5 -10 1.216 1.426 1.472 46.205 o
-7 -5 -9 1.668 2.456 0.983 102.622 o
-7 -5 -8 3.095 2.863 0.977 102.873 o
-7 -5 -7 0.104 1.052 0.961 108.542 o
-7 -5 -6 4.533 6.496 1.008 94.960 o
-7 -5 -5 5.190 4.898 1.007 95.194 o
-7 -5 -4 1.610 1.638 1.276 61.305 o
-7 -5 -3 17.015 19.448 1.426 44.144 o
-7 -5 -2 12.931 15.608 1.319 52.788 o
-7 -5 -1 3.081 4.079 1.094 82.160 o
-7 -4 -14 4.746 3.921 1.682 35.111 o
-7 -4 -13 13.073 13.235 1.769 30.617 o
-7 -4 -12 6.622 6.829 1.013 92.632 o
-7 -4 -11 19.865 20.744 1.944 24.679 o
-7 -4 -10 5.407 4.671 1.012 94.260 o
-7 -4 -9 2.254 1.280 0.927 115.283 o
-7 -4 -8 9.035 7.794 1.030 87.756 o
-7 -4 -7 1.127 0.951 0.886 127.007 o
-7 -4 -6 20.086 22.749 1.251 53.500 o
-7 -4 -5 9.773 9.894 1.050 83.566 o
-7 -4 -4 0.316 0.385 0.843 141.149 o
-7 -4 -3 49.707 52.013 1.730 22.945 o
-7 -4 -2 10.457 10.600 1.020 87.315 o
-7 -4 -1 12.931 12.660 1.039 81.849 o
-7 -3 -16 3.659 3.588 2.120 22.236 o
-7 -3 -15 0.341 0.171 1.538 42.482 o
-7 -3 -14 1.171 0.430 0.958 108.947 o
-7 -3 -13 23.297 21.844 1.313 48.198 o
-7 -3 -12 1.695 1.644 1.347 55.047 o
-7 -3 -11 2.291 1.719 1.291 59.841 o
-7 -3 -10 6.402 7.439 1.004 94.076 o
-7 -3 -9 1.164 2.185 0.929 115.119 o
-7 -3 -8 2.478 2.861 0.928 114.343 o
-7 -3 -7 1.031 1.291 0.902 122.392 o
-7 -3 -6 13.939 14.855 1.103 72.293 o
-7 -3 -5 6.564 8.435 0.937 106.503 o
-7 -3 -4 13.427 13.804 1.087 74.904 o
-7 -3 -3 14.001 13.724 1.055 78.468 o
-7 -3 -2 1.814 1.259 0.507 375.169 o
-7 -3 -1 3.554 3.875 0.587 269.857 o
-7 -2 -17 15.981 13.959 1.543 39.066 o
-7 -2 -16 6.073 7.687 2.279 19.134 o
-7 -2 -15 3.866 3.137 1.009 96.196 o
-7 -2 -14 1.924 2.234 1.220 66.957 o
-7 -2 -13 5.330 6.223 1.022 91.974 o
-7 -2 -12 0.595 0.355 0.922 117.917 o
-7 -2 -11 7.039 5.865 0.942 106.066 o
-7 -2 -10 17.479 19.955 1.517 39.318 o
-7 -2 -9 0.582 0.113 0.879 129.570 o
-7 -2 -8 1.707 1.603 0.846 138.183 o
-7 -2 -7 4.595 4.244 0.915 115.218 o
-7 -2 -6 46.796 44.610 1.787 22.985 o
-7 -2 -5 0.094 0.742 0.656 232.449 o
-7 -2 -4 8.524 10.377 0.707 169.815 o
-7 -2 -3 29.265 29.812 0.944 69.814 o
-7 -2 -2 14.826 14.724 0.776 127.960 o
-7 -2 -1 22.822 23.120 0.935 81.197 o
-7 -1 -18 1.245 1.660 1.462 46.859 o
-7 -1 -17 0.364 1.312 1.114 80.774 o
-7 -1 -16 0.690 2.080 1.188 70.837 o
-7 -1 -15 1.287 0.558 1.127 78.804 o
-7 -1 -14 4.150 4.854 1.199 68.309 o
-7 -1 -13 10.683 12.427 1.336 52.664 o
-7 -1 -12 5.724 7.290 1.046 87.425 o
-7 -1 -11 9.847 9.960 1.049 83.533 o
-7 -1 -10 7.724 8.761 1.078 81.151 o
-7 -1 -9 3.086 3.219 0.887 124.023 o
-7 -1 -8 0.334 0.146 0.810 152.827 o
-7 -1 -7 12.390 11.679 0.725 151.771 o
-7 -1 -6 9.004 9.598 0.791 139.957 o
-7 -1 -5 17.157 16.967 0.799 115.808 o
-7 -1 -4 24.574 22.954 0.860 88.832 o
-7 -1 -3 12.056 13.039 0.844 117.674 o
-7 -1 -2 4.663 5.068 0.590 259.790 o
-7 -1 -1 0.790 0.890 0.465 454.240 o
-6 -8 -8 1.710 3.690 2.794 12.851 o
-6 -8 -7 1.466 3.030 2.110 22.521 o
-6 -8 -6 0.101 0.381 1.979 25.660 o
-6 -8 -5 5.671 3.847 2.854 12.281 o
-6 -8 -4 2.781 0.048 1.805 30.739 o
-6 -8 -3 1.537 -0.270 1.792 31.253 o
-6 -8 -2 4.880 5.387 1.938 26.469 o
-6 -8 -1 15.317 16.246 2.281 18.611 o
-6 -7 -13 15.573 15.875 2.991 10.990 o
-6 -7 -12 0.239 1.932 1.518 43.550 o
-6 -7 -11 4.222 4.101 1.840 29.411 o
-6 -7 -10 8.042 9.708 1.922 26.601 o
-6 -7 -9 4.362 4.620 1.493 44.376 o
-6 -7 -8 1.765 -0.515 2.378 17.752 o
-6 -7 -7 2.999 3.058 2.569 15.189 o
-6 -7 -6 5.485 3.116 1.957 25.997 o
-6 -7 -5 2.571 3.800 1.938 26.608 o
-6 -7 -4 0.264 -1.567 1.756 32.586 o
-6 -7 -3 11.014 11.828 1.428 46.489 o
-6 -7 -2 5.988 7.746 1.002 94.630 o
-6 -7 -1 4.588 4.621 0.971 102.569 o
-6 -6 -15 11.595 10.080 1.748 31.672 o
-6 -6 -14 15.938 16.540 1.876 26.974 o
-6 -6 -13 0.166 -0.528 1.515 43.813 o
-6 -6 -12 2.700 2.532 1.550 41.492 o
-6 -6 -11 4.875 3.363 1.399 50.463 o
-6 -6 -10 4.351 7.062 1.675 35.275 o
-6 -6 -9 8.872 10.436 1.551 40.203 o
-6 -6 -8 39.539 39.976 2.114 18.691 o
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-6 -6 -6 15.881 17.476 1.038 77.727 o
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-6 -6 -4 6.815 6.426 0.968 100.925 o
-6 -6 -3 1.687 2.807 0.864 132.252 o
-6 -6 -2 19.853 22.815 1.973 23.920 o
-6 -6 -1 19.495 18.569 1.142 63.745 o
-6 -5 -18 13.238 11.901 2.473 16.050 o
-6 -5 -17 7.679 7.998 1.713 33.429 o
-6 -5 -16 6.310 6.775 1.624 37.329 o
-6 -5 -15 5.836 5.863 1.606 38.219 o
-6 -5 -14 2.323 1.245 1.504 44.192 o
-6 -5 -13 30.893 33.830 3.515 7.745 o
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-6 -5 -11 15.439 16.242 1.667 33.746 o
-6 -5 -10 22.429 22.335 1.772 28.818 o
-6 -5 -9 4.557 3.690 0.709 187.289 o
-6 -5 -8 10.931 10.067 0.907 107.302 o
-6 -5 -7 1.651 1.665 0.844 138.995 o
-6 -5 -6 23.889 24.341 1.101 62.631 o
-6 -5 -5 8.812 8.958 0.782 143.668 o
-6 -5 -4 7.254 7.155 0.730 167.710 o
-6 -5 -3 39.342 37.636 1.227 42.223 o
-6 -5 -2 9.663 9.639 0.912 107.981 o
-6 -5 -1 0.737 -0.192 0.623 257.161 o
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-6 -4 -19 1.823 0.595 1.472 46.172 o
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-6 -4 -17 3.277 2.452 1.477 45.623 o
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-6 -4 -12 8.368 8.223 0.924 107.680 o
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-6 -2 -11 10.227 7.901 0.736 157.619 o
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4 2 3 16.591 17.297 0.458 232.103 o
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4 3 25 3.183 5.546 1.440 47.744 o
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4 4 1 19.386 19.457 0.504 188.627 o
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4 4 3 14.316 14.432 1.021 82.526 o
4 4 4 4.330 5.234 0.511 336.714 o
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4 4 7 7.261 7.709 0.582 246.619 o
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4 4 12 8.207 8.620 0.690 180.477 o
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4 5 5 35.778 36.003 0.796 71.870 o
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