#------------------------------------------------------------------------------
#$Date: 2024-08-09 04:47:06 +0300 (Fri, 09 Aug 2024) $
#$Revision: 294066 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/25/2312569.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_2312569
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.863(4)
_cell_angle_beta                 104.606(4)
_cell_angle_gamma                93.344(4)
_cell_length_a                   5.3263(2)
_cell_length_b                   7.3743(4)
_cell_length_c                   9.3688(4)
_cell_volume                     330.69(3)
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_cod_data_source_file            dg3057MMnsup2.hkl
_cod_data_source_block           MMn
_shelx_refln_list_code           4
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-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
-9 -1 5 6.291 4.700 1.139 28.317 o
-9 -1 6 5.398 5.679 1.332 21.773 o
-9 0 2 14.750 12.713 1.984 9.535 o
-9 0 3 5.175 5.472 1.351 21.305 o
-9 0 4 0.557 1.795 0.868 54.937 o
-9 0 5 11.198 10.735 2.389 7.004 o
-9 0 6 0.053 1.134 0.830 61.578 o
-9 1 3 8.070 7.991 1.491 17.009 o
-9 1 4 3.480 4.897 1.095 32.184 o
-9 1 5 1.646 -0.444 0.695 81.165 o
-9 2 3 7.743 6.852 1.351 20.374 o
-8 -5 4 0.890 0.315 0.922 49.026 o
-8 -5 5 13.672 14.310 1.902 10.322 o
-8 -5 6 11.282 13.798 1.916 10.408 o
-8 -4 2 7.473 8.990 1.646 14.329 o
-8 -4 3 0.469 0.632 0.439 204.654 o
-8 -4 4 25.452 27.881 1.516 12.479 o
-8 -4 5 6.912 6.593 0.834 45.173 o
-8 -4 6 1.908 1.776 0.691 78.938 o
-8 -4 7 24.919 27.615 2.015 8.302 o
-8 -4 8 0.538 -0.080 1.168 31.174 o
-8 -4 9 9.403 12.216 1.434 17.626 o
-8 -3 1 15.317 14.702 1.085 24.005 o
-8 -3 2 2.371 2.502 0.562 107.095 o
-8 -3 3 9.123 9.963 0.753 46.674 o
-8 -3 4 5.173 4.947 0.551 87.355 o
-8 -3 5 8.634 7.295 0.757 48.328 o
-8 -3 6 8.823 8.703 0.781 45.517 o
-8 -3 7 2.005 2.130 0.735 70.142 o
-8 -3 8 0.953 0.888 0.421 204.035 o
-8 -3 9 38.627 39.380 1.934 7.633 o
-8 -3 10 4.520 3.784 0.852 48.605 o
-8 -2 1 1.548 1.841 0.480 149.637 o
-8 -2 2 1.773 1.638 0.456 159.499 o
-8 -2 3 33.502 34.747 1.639 10.058 o
-8 -2 4 20.842 20.372 1.029 22.198 o
-8 -2 5 12.026 11.954 0.888 34.160 o
-8 -2 6 23.010 21.486 1.186 18.028 o
-8 -2 7 0.583 0.265 0.412 228.939 o
-8 -2 8 9.655 9.705 0.834 40.316 o
-8 -2 9 7.516 7.981 0.801 46.341 o
-8 -2 10 4.164 4.858 0.541 95.689 o
-8 -1 1 0.200 -0.656 0.385 279.716 o
-8 -1 2 15.439 14.866 0.938 28.689 o
-8 -1 3 11.021 9.767 0.873 36.433 o
-8 -1 4 30.108 30.045 1.433 12.533 o
-8 -1 5 26.660 28.779 1.163 16.789 o
-8 -1 6 18.218 18.724 0.972 25.218 o
-8 -1 7 0.224 -0.219 0.422 232.894 o
-8 -1 8 18.230 18.172 0.971 25.331 o
-8 -1 9 6.832 6.992 0.564 74.877 o
-8 -1 10 0.727 0.282 0.295 393.137 o
-8 0 1 2.582 2.454 0.410 165.882 o
-8 0 2 13.269 12.587 0.880 33.204 o
-8 0 3 3.076 2.556 0.441 142.877 o
-8 0 4 25.967 25.461 1.271 15.583 o
-8 0 5 10.876 10.730 0.853 37.454 o
-8 0 6 5.574 4.561 0.536 88.714 o
-8 0 7 12.737 13.123 0.889 33.199 o
-8 0 8 9.520 9.264 0.673 52.733 o
-8 0 9 5.138 5.457 0.507 96.019 o
-8 0 10 16.706 17.244 0.858 30.205 o
-8 1 1 2.394 2.635 0.643 85.915 o
-8 1 2 0.139 -0.156 0.377 293.578 o
-8 1 3 7.725 6.449 0.604 66.579 o
-8 1 4 3.922 3.668 0.554 96.028 o
-8 1 5 20.330 17.732 1.065 21.849 o
-8 1 6 2.234 1.933 0.393 185.371 o
-8 1 7 15.159 15.298 0.849 32.263 o
-8 1 8 40.638 41.398 1.126 13.051 o
-8 1 9 4.562 5.746 0.491 103.267 o
-8 1 10 2.983 2.695 0.766 62.205 o
-8 2 1 14.020 13.051 0.713 40.594 o
-8 2 2 1.236 0.538 0.483 157.823 o
-8 2 3 15.282 16.340 1.218 20.380 o
-8 2 4 4.085 3.626 0.513 105.332 o
-8 2 5 6.057 6.497 0.792 50.282 o
-8 2 6 3.151 3.797 0.479 123.758 o
-8 2 7 14.583 14.240 0.838 33.496 o
-8 2 8 7.948 8.976 0.696 54.257 o
-8 2 9 17.873 20.374 1.234 18.833 o
-8 3 1 8.493 7.399 0.558 68.888 o
-8 3 2 11.294 12.736 0.854 36.423 o
-8 3 3 8.548 9.156 0.758 47.623 o
-8 3 4 12.822 12.454 0.858 34.679 o
-8 3 5 0.073 0.112 0.386 283.500 o
-8 3 6 0.817 1.240 0.453 181.772 o
-8 3 7 17.970 18.682 1.074 22.585 o
-8 3 8 0.815 1.039 0.422 206.351 o
-8 4 1 6.973 6.279 0.622 67.043 o
-8 4 2 15.607 17.046 0.975 26.942 o
-8 4 3 7.325 6.200 0.627 65.301 o
-8 4 4 7.528 8.526 0.723 52.847 o
-8 4 5 0.106 0.264 0.343 351.996 o
-8 4 6 2.666 1.907 0.438 152.790 o
-8 4 7 1.126 0.431 0.453 179.006 o
-8 5 1 0.621 0.260 0.491 165.032 o
-8 5 2 11.434 10.009 0.770 41.872 o
-8 5 3 16.402 16.076 0.960 27.098 o
-8 5 4 1.504 0.914 0.401 204.685 o
-8 5 5 2.969 2.796 0.583 96.592 o
-8 5 6 10.183 8.059 1.530 15.835 o
-8 6 1 3.169 3.838 0.589 92.317 o
-8 6 2 4.594 5.982 0.814 51.186 o
-8 6 3 8.118 8.153 1.077 29.290 o
-8 6 4 4.275 2.861 1.071 33.256 o
-7 -7 6 7.805 8.826 1.554 15.826 o
-7 -7 7 12.362 11.926 1.844 11.079 o
-7 -6 1 0.884 1.669 0.854 56.120 o
-7 -6 2 28.361 30.105 2.668 5.113 o
-7 -6 3 9.972 11.070 1.041 29.128 o
-7 -6 4 2.098 3.954 0.652 83.810 o
-7 -6 5 50.496 54.977 3.665 2.662 o
-7 -6 6 29.856 29.805 2.115 7.371 o
-7 -6 7 1.142 2.128 0.691 81.854 o
-7 -6 8 24.573 25.076 2.315 6.680 o
-7 -6 9 0.260 0.330 0.488 173.145 o
-7 -6 10 1.863 1.319 0.586 105.974 o
-7 -6 11 8.073 10.670 1.993 10.003 o
-7 -5 1 14.868 15.490 1.189 21.323 o
-7 -5 2 25.465 25.631 1.493 12.831 o
-7 -5 3 1.836 1.565 0.459 156.811 o
-7 -5 4 21.131 20.673 1.310 16.481 o
-7 -5 5 6.760 6.624 0.799 48.358 o
-7 -5 6 15.951 16.881 1.191 20.730 o
-7 -5 7 21.281 22.897 2.320 6.825 o
-7 -5 8 5.128 4.968 1.115 30.075 o
-7 -5 9 0.090 -0.082 0.376 298.627 o
-7 -5 10 30.250 29.872 1.443 12.411 o
-7 -5 11 4.996 5.875 0.700 63.234 o
-7 -5 12 4.310 2.721 1.100 31.712 o
-7 -4 1 35.480 34.610 1.334 12.420 o
-7 -4 2 0.338 0.090 0.505 162.059 o
-7 -4 3 0.321 0.730 0.348 318.380 o
-7 -4 4 14.822 14.601 0.849 32.714 o
-7 -4 5 10.312 9.339 0.770 43.743 o
-7 -4 6 26.564 29.084 1.283 15.066 o
-7 -4 7 25.275 26.717 1.252 15.953 o
-7 -4 8 8.639 9.124 0.895 37.948 o
-7 -4 9 24.996 25.773 1.493 12.895 o
-7 -4 10 11.626 12.021 0.932 32.429 o
-7 -4 11 7.498 8.668 0.837 43.412 o
-7 -4 12 22.198 24.000 1.231 17.308 o
-7 -3 1 40.688 41.144 1.415 10.682 o
-7 -3 2 0.100 -0.382 0.311 432.085 o
-7 -3 3 10.323 9.106 0.681 50.499 o
-7 -3 4 1.560 0.937 0.331 268.112 o
-7 -3 5 20.325 20.215 0.849 27.264 o
-7 -3 6 25.734 26.108 1.067 18.876 o
-7 -3 7 43.911 45.253 1.410 10.152 o
-7 -3 8 5.224 5.292 0.621 74.330 o
-7 -3 9 33.694 36.147 1.493 11.191 o
-7 -3 10 44.860 45.483 1.532 9.253 o
-7 -3 11 4.558 4.437 0.466 112.440 o
-7 -3 12 0.115 -0.115 0.326 391.903 o
-7 -2 1 7.540 6.009 0.558 73.778 o
-7 -2 2 17.632 17.689 0.813 30.964 o
-7 -2 3 36.928 34.892 1.127 14.207 o
-7 -2 4 2.993 3.155 0.367 176.554 o
-7 -2 5 61.239 62.011 2.102 5.432 o
-7 -2 6 6.947 6.839 0.550 76.660 o
-7 -2 7 5.546 5.747 0.533 87.703 o
-7 -2 8 12.833 12.590 0.680 44.474 o
-7 -2 9 12.583 13.575 0.700 43.269 o
-7 -2 10 8.566 8.971 0.596 62.974 o
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-7 -2 12 1.121 0.947 0.374 241.020 o
-7 -1 1 48.121 48.853 1.202 10.826 o
-7 -1 2 32.906 32.586 1.416 12.146 o
-7 -1 3 8.697 7.856 0.522 72.169 o
-7 -1 4 31.718 31.439 1.421 12.336 o
-7 -1 5 2.416 2.268 0.350 206.888 o
-7 -1 6 21.313 19.943 0.895 25.373 o
-7 -1 7 0.122 -0.088 0.287 499.515 o
-7 -1 8 0.407 0.125 0.289 448.513 o
-7 -1 9 68.180 69.940 1.545 6.635 o
-7 -1 10 9.764 11.617 0.674 50.947 o
-7 -1 11 10.185 11.881 0.759 43.757 o
-7 -1 12 16.866 17.326 0.940 27.237 o
-7 0 1 5.402 5.412 0.423 113.796 o
-7 0 2 36.145 35.122 1.073 14.966 o
-7 0 3 7.317 7.146 0.588 69.507 o
-7 0 4 61.812 61.624 2.087 5.454 o
-7 0 5 17.152 15.905 0.875 29.502 o
-7 0 6 20.294 18.552 0.874 26.811 o
-7 0 7 0.722 0.783 0.338 307.495 o
-7 0 8 15.547 15.885 0.790 34.218 o
-7 0 9 5.806 6.579 0.510 89.535 o
-7 0 10 18.670 19.089 0.745 32.195 o
-7 0 11 15.111 17.530 0.911 29.441 o
-7 0 12 4.121 2.402 0.497 112.092 o
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-7 1 6 9.614 10.850 0.643 54.283 o
-7 1 7 2.274 2.262 0.501 129.524 o
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-7 1 11 0.403 0.093 0.354 313.780 o
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-7 4 1 3.472 3.701 0.523 107.248 o
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-7 5 1 0.149 -0.413 0.276 534.202 o
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-7 5 3 20.347 20.316 0.905 25.638 o
-7 5 4 0.749 0.798 0.344 296.127 o
-7 5 5 1.657 1.332 0.304 288.785 o
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-7 5 7 1.333 1.596 0.384 218.855 o
-7 5 8 22.088 25.111 1.212 17.584 o
-7 6 1 10.913 10.665 0.636 52.070 o
-7 6 2 17.635 17.535 0.833 30.274 o
-7 6 3 7.466 7.882 0.611 65.525 o
-7 6 4 5.496 5.872 0.521 90.277 o
-7 6 5 1.529 1.561 0.363 230.945 o
-7 6 6 0.653 0.511 0.312 359.915 o
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-7 7 4 3.844 3.834 0.535 101.012 o
-7 7 5 1.374 2.008 0.540 124.757 o
-7 8 1 4.471 3.944 0.558 91.429 o
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-6 -8 3 10.832 11.622 2.949 4.714 o
-6 -8 4 0.897 -0.160 1.889 11.959 o
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-6 -8 7 24.902 26.681 2.402 6.253 o
-6 -8 8 10.634 10.374 1.061 28.005 o
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-6 -7 1 2.034 2.654 0.599 98.741 o
-6 -7 2 11.336 13.387 1.123 25.000 o
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-6 -7 6 4.606 4.987 0.966 38.908 o
-6 -7 7 12.085 15.785 1.539 14.968 o
-6 -7 8 18.580 19.275 1.656 12.210 o
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-6 -6 3 12.658 13.432 1.154 23.415 o
-6 -6 4 3.118 3.221 0.539 106.693 o
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-6 -5 8 27.484 30.839 2.255 6.773 o
-6 -5 9 1.422 1.318 0.380 222.113 o
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-6 -5 12 16.337 17.618 1.317 17.834 o
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-6 -4 7 29.161 30.012 1.053 17.610 o
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-6 0 4 20.444 20.123 0.733 30.765 o
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