The material structure described by Ir(SeBr3)3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 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 trigonal non-coplanar geometry to one Ir(1), 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 distorted 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(1) is bonded in a single-bond geometry to one Ir(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Ir(1) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to one Ir(1) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one Se(1) atom. In the fifth Br site, Br(5) is bonded in a single-bond geometry to one Se(1) atom. In the sixth Br site, Br(6) is bonded in a single-bond geometry to one Se(2) atom. In the seventh Br site, Br(7) is bonded in a single-bond geometry to one Se(2) atom. In the eighth Br site, Br(8) is bonded in a single-bond geometry to one Se(3) atom. In the ninth Br site, Br(9) is bonded in a single-bond geometry to one Se(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ir(SeBr3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.961
_cell_length_b   8.449
_cell_length_c   13.535
_cell_angle_alpha   81.693
_cell_angle_beta   85.233
_cell_angle_gamma   67.607
_symmetry_Int_Tables_number   1
_cell_volume   832.589
_cell_formula_units_Z   2
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  0.725  0.779  0.751  1.0
  Ir  Ir1  1  0.275  0.221  0.249  1.0
  Se  Se2  1  0.865  0.919  0.626  1.0
  Se  Se3  1  0.135  0.081  0.374  1.0
  Se  Se4  1  0.846  0.852  0.884  1.0
  Se  Se5  1  0.154  0.148  0.116  1.0
  Se  Se6  1  0.956  0.499  0.749  1.0
  Se  Se7  1  0.044  0.501  0.251  1.0
  Br  Br8  1  0.427  0.023  0.746  1.0
  Br  Br9  1  0.573  0.977  0.254  1.0
  Br  Br10  1  0.623  0.601  0.896  1.0
  Br  Br11  1  0.377  0.399  0.104  1.0
  Br  Br12  1  0.613  0.634  0.634  1.0
  Br  Br13  1  0.387  0.366  0.366  1.0
  Br  Br14  1  0.747  0.940  0.469  1.0
  Br  Br15  1  0.253  0.060  0.531  1.0
  Br  Br16  1  0.743  0.218  0.642  1.0
  Br  Br17  1  0.257  0.782  0.358  1.0
  Br  Br18  1  0.105  0.916  0.819  1.0
  Br  Br19  1  0.895  0.084  0.181  1.0
  Br  Br20  1  0.659  0.121  0.932  1.0
  Br  Br21  1  0.341  0.879  0.068  1.0
  Br  Br22  1  0.153  0.510  0.610  1.0
  Br  Br23  1  0.847  0.490  0.390  1.0
  Br  Br24  1  0.160  0.445  0.880  1.0
  Br  Br25  1  0.840  0.555  0.120  1.0
[/CIF]
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The material structure described by Ir(SeBr3)3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 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 trigonal non-coplanar geometry to one Ir(1), 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 distorted 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(1) is bonded in a single-bond geometry to one Ir(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Ir(1) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to one Ir(1) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one Se(1) atom. In the fifth Br site, Br(5) is bonded in a single-bond geometry to one Se(1) atom. In the sixth Br site, Br(6) is bonded in a single-bond geometry to one Se(2) atom. In the seventh Br site, Br(7) is bonded in a single-bond geometry to one Se(2) atom. In the eighth Br site, Br(8) is bonded in a single-bond geometry to one Se(3) atom. In the ninth Br site, Br(9) is bonded in a single-bond geometry to one Se(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ir(SeBr3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.961
_cell_length_b   8.449
_cell_length_c   13.535
_cell_angle_alpha   81.693
_cell_angle_beta   85.233
_cell_angle_gamma   67.607
_symmetry_Int_Tables_number   1
_cell_volume   832.589
_cell_formula_units_Z   2
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  0.725  0.779  0.751  1.0
  Ir  Ir1  1  0.275  0.221  0.249  1.0
  Se  Se2  1  0.865  0.919  0.626  1.0
  Se  Se3  1  0.135  0.081  0.374  1.0
  Se  Se4  1  0.846  0.852  0.884  1.0
  Se  Se5  1  0.154  0.148  0.116  1.0
  Se  Se6  1  0.956  0.499  0.749  1.0
  Se  Se7  1  0.044  0.501  0.251  1.0
  Br  Br8  1  0.427  0.023  0.746  1.0
  Br  Br9  1  0.573  0.977  0.254  1.0
  Br  Br10  1  0.623  0.601  0.896  1.0
  Br  Br11  1  0.377  0.399  0.104  1.0
  Br  Br12  1  0.613  0.634  0.634  1.0
  Br  Br13  1  0.387  0.366  0.366  1.0
  Br  Br14  1  0.747  0.940  0.469  1.0
  Br  Br15  1  0.253  0.060  0.531  1.0
  Br  Br16  1  0.743  0.218  0.642  1.0
  Br  Br17  1  0.257  0.782  0.358  1.0
  Br  Br18  1  0.105  0.916  0.819  1.0
  Br  Br19  1  0.895  0.084  0.181  1.0
  Br  Br20  1  0.659  0.121  0.932  1.0
  Br  Br21  1  0.341  0.879  0.068  1.0
  Br  Br22  1  0.153  0.510  0.610  1.0
  Br  Br23  1  0.847  0.490  0.390  1.0
  Br  Br24  1  0.160  0.445  0.880  1.0
  Br  Br25  1  0.840  0.555  0.120  1.0
[/CIF]
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