The crystal structure described by Ir(SeBr3)3 is beta Np structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Ir(SeBr3)3 clusters. Ir(1) is bonded in an octahedral geometry to one Se(1), one Se(2), one Se(3), one Br(1), one Br(2), and one Br(3) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to one Ir(1), one Br(2), one Br(3), one Br(4), and one Br(5) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one Ir(1), one Br(6), and one Br(7) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one Ir(1), one Br(8), and one Br(9) atom. There are nine inequivalent Br sites. In the first Br site, Br(5) is bonded in a single-bond geometry to one Se(1) atom. In the second Br site, Br(6) is bonded in a single-bond geometry to one Se(2) atom. In the third Br site, Br(7) is bonded in a single-bond geometry to one Se(2) atom. In the fourth Br site, Br(8) is bonded in a single-bond geometry to one Se(3) atom. In the fifth Br site, Br(1) is bonded in a single-bond geometry to one Ir(1) atom. In the sixth Br site, Br(9) is bonded in a single-bond geometry to one Se(3) atom. In the seventh Br site, Br(2) is bonded in a 2-coordinate geometry to one Ir(1) and one Se(1) atom. In the eighth Br site, Br(3) is bonded in a distorted single-bond geometry to one Ir(1) and one Se(1) atom. In the ninth Br site, Br(4) is bonded in a single-bond geometry to one Se(1) atom. is represented by the CIF file [CIF]
data_Ir(SeBr3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.274
_cell_length_b   8.942
_cell_length_c   17.300
_cell_angle_alpha   63.683
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1840.664
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ir  Ir0  1  0.739  0.705  0.872  1.0
  Ir  Ir1  1  0.761  0.705  0.372  1.0
  Ir  Ir2  1  0.262  0.295  0.128  1.0
  Ir  Ir3  1  0.238  0.295  0.628  1.0
  Se  Se4  1  0.681  0.682  0.740  1.0
  Se  Se5  1  0.819  0.682  0.240  1.0
  Se  Se6  1  0.319  0.318  0.260  1.0
  Se  Se7  1  0.181  0.318  0.760  1.0
  Se  Se8  1  0.576  0.713  0.927  1.0
  Se  Se9  1  0.924  0.713  0.427  1.0
  Se  Se10  1  0.424  0.287  0.073  1.0
  Se  Se11  1  0.076  0.287  0.573  1.0
  Se  Se12  1  0.823  0.742  0.987  1.0
  Se  Se13  1  0.677  0.742  0.487  1.0
  Se  Se14  1  0.177  0.258  0.013  1.0
  Se  Se15  1  0.323  0.258  0.513  1.0
  Br  Br16  1  0.734  0.399  0.984  1.0
  Br  Br17  1  0.766  0.399  0.484  1.0
  Br  Br18  1  0.266  0.601  0.016  1.0
  Br  Br19  1  0.234  0.601  0.516  1.0
  Br  Br20  1  0.886  0.642  0.796  1.0
  Br  Br21  1  0.614  0.642  0.296  1.0
  Br  Br22  1  0.114  0.358  0.204  1.0
  Br  Br23  1  0.386  0.358  0.704  1.0
  Br  Br24  1  0.743  0.996  0.753  1.0
  Br  Br25  1  0.757  0.996  0.253  1.0
  Br  Br26  1  0.257  0.004  0.247  1.0
  Br  Br27  1  0.243  0.004  0.747  1.0
  Br  Br28  1  0.667  0.399  0.763  1.0
  Br  Br29  1  0.833  0.399  0.263  1.0
  Br  Br30  1  0.333  0.601  0.237  1.0
  Br  Br31  1  0.167  0.601  0.737  1.0
  Br  Br32  1  0.505  0.753  0.720  1.0
  Br  Br33  1  0.995  0.753  0.220  1.0
  Br  Br34  1  0.495  0.247  0.280  1.0
  Br  Br35  1  0.005  0.247  0.780  1.0
  Br  Br36  1  0.595  0.662  0.076  1.0
  Br  Br37  1  0.905  0.662  0.576  1.0
  Br  Br38  1  0.405  0.338  0.924  1.0
  Br  Br39  1  0.095  0.338  0.424  1.0
  Br  Br40  1  0.506  0.984  0.866  1.0
  Br  Br41  1  0.994  0.984  0.366  1.0
  Br  Br42  1  0.494  0.016  0.134  1.0
  Br  Br43  1  0.006  0.016  0.634  1.0
  Br  Br44  1  0.793  0.019  0.967  1.0
  Br  Br45  1  0.707  0.019  0.467  1.0
  Br  Br46  1  0.207  0.981  0.033  1.0
  Br  Br47  1  0.293  0.981  0.533  1.0
  Br  Br48  1  0.999  0.745  0.964  1.0
  Br  Br49  1  0.501  0.745  0.464  1.0
  Br  Br50  1  0.001  0.255  0.036  1.0
  Br  Br51  1  0.499  0.255  0.536  1.0
[/CIF]
.
The crystal structure described by Ir(SeBr3)3 is beta Np structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Ir(SeBr3)3 clusters. Ir(1) is bonded in an octahedral geometry to one Se(1), one Se(2), one Se(3), one Br(1), one Br(2), and one Br(3) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to one Ir(1), one Br(2), one Br(3), one Br(4), and one Br(5) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one Ir(1), one Br(6), and one Br(7) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one Ir(1), one Br(8), and one Br(9) atom. There are nine inequivalent Br sites. In the first Br site, Br(5) is bonded in a single-bond geometry to one Se(1) atom. In the second Br site, Br(6) is bonded in a single-bond geometry to one Se(2) atom. In the third Br site, Br(7) is bonded in a single-bond geometry to one Se(2) atom. In the fourth Br site, Br(8) is bonded in a single-bond geometry to one Se(3) atom. In the fifth Br site, Br(1) is bonded in a single-bond geometry to one Ir(1) atom. In the sixth Br site, Br(9) is bonded in a single-bond geometry to one Se(3) atom. In the seventh Br site, Br(2) is bonded in a 2-coordinate geometry to one Ir(1) and one Se(1) atom. In the eighth Br site, Br(3) is bonded in a distorted single-bond geometry to one Ir(1) and one Se(1) atom. In the ninth Br site, Br(4) is bonded in a single-bond geometry to one Se(1) atom. is represented by the CIF file [CIF]
data_Ir(SeBr3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.274
_cell_length_b   8.942
_cell_length_c   17.300
_cell_angle_alpha   63.683
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1840.664
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ir  Ir0  1  0.739  0.705  0.872  1.0
  Ir  Ir1  1  0.761  0.705  0.372  1.0
  Ir  Ir2  1  0.262  0.295  0.128  1.0
  Ir  Ir3  1  0.238  0.295  0.628  1.0
  Se  Se4  1  0.681  0.682  0.740  1.0
  Se  Se5  1  0.819  0.682  0.240  1.0
  Se  Se6  1  0.319  0.318  0.260  1.0
  Se  Se7  1  0.181  0.318  0.760  1.0
  Se  Se8  1  0.576  0.713  0.927  1.0
  Se  Se9  1  0.924  0.713  0.427  1.0
  Se  Se10  1  0.424  0.287  0.073  1.0
  Se  Se11  1  0.076  0.287  0.573  1.0
  Se  Se12  1  0.823  0.742  0.987  1.0
  Se  Se13  1  0.677  0.742  0.487  1.0
  Se  Se14  1  0.177  0.258  0.013  1.0
  Se  Se15  1  0.323  0.258  0.513  1.0
  Br  Br16  1  0.734  0.399  0.984  1.0
  Br  Br17  1  0.766  0.399  0.484  1.0
  Br  Br18  1  0.266  0.601  0.016  1.0
  Br  Br19  1  0.234  0.601  0.516  1.0
  Br  Br20  1  0.886  0.642  0.796  1.0
  Br  Br21  1  0.614  0.642  0.296  1.0
  Br  Br22  1  0.114  0.358  0.204  1.0
  Br  Br23  1  0.386  0.358  0.704  1.0
  Br  Br24  1  0.743  0.996  0.753  1.0
  Br  Br25  1  0.757  0.996  0.253  1.0
  Br  Br26  1  0.257  0.004  0.247  1.0
  Br  Br27  1  0.243  0.004  0.747  1.0
  Br  Br28  1  0.667  0.399  0.763  1.0
  Br  Br29  1  0.833  0.399  0.263  1.0
  Br  Br30  1  0.333  0.601  0.237  1.0
  Br  Br31  1  0.167  0.601  0.737  1.0
  Br  Br32  1  0.505  0.753  0.720  1.0
  Br  Br33  1  0.995  0.753  0.220  1.0
  Br  Br34  1  0.495  0.247  0.280  1.0
  Br  Br35  1  0.005  0.247  0.780  1.0
  Br  Br36  1  0.595  0.662  0.076  1.0
  Br  Br37  1  0.905  0.662  0.576  1.0
  Br  Br38  1  0.405  0.338  0.924  1.0
  Br  Br39  1  0.095  0.338  0.424  1.0
  Br  Br40  1  0.506  0.984  0.866  1.0
  Br  Br41  1  0.994  0.984  0.366  1.0
  Br  Br42  1  0.494  0.016  0.134  1.0
  Br  Br43  1  0.006  0.016  0.634  1.0
  Br  Br44  1  0.793  0.019  0.967  1.0
  Br  Br45  1  0.707  0.019  0.467  1.0
  Br  Br46  1  0.207  0.981  0.033  1.0
  Br  Br47  1  0.293  0.981  0.533  1.0
  Br  Br48  1  0.999  0.745  0.964  1.0
  Br  Br49  1  0.501  0.745  0.464  1.0
  Br  Br50  1  0.001  0.255  0.036  1.0
  Br  Br51  1  0.499  0.255  0.536  1.0
[/CIF]
.