The material described by C(Se2Br)2 is Indium-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four C(Se2Br)2 clusters. C(1) is bonded in a trigonal planar geometry to one Se(1), one Se(3), and one Se(4) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one C(1), one Se(2), and one Br(2) atom. In the second Se site, Se(2) is bonded in an L-shaped geometry to one Se(1) and one Se(3) atom. In the third Se site, Se(3) is bonded in a distorted T-shaped geometry to one C(1), one Se(2), and one Br(1) atom. In the fourth Se site, Se(4) is bonded in a T-shaped geometry to one C(1), one Br(1), and one Br(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to one Se(3) and one Se(4) atom. In the second Br site, Br(2) is bonded in a 2-coordinate geometry to one Se(1) and one Se(4) atom. is represented by the CIF card [CIF]
data_C(Se2Br)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.376
_cell_length_b   8.575
_cell_length_c   21.399
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   803.079
_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
  C  C0  1  0.580  0.247  0.879  1.0
  C  C1  1  0.420  0.747  0.121  1.0
  C  C2  1  0.920  0.247  0.379  1.0
  C  C3  1  0.080  0.747  0.621  1.0
  Se  Se4  1  0.399  0.238  0.801  1.0
  Se  Se5  1  0.601  0.738  0.199  1.0
  Se  Se6  1  0.101  0.238  0.301  1.0
  Se  Se7  1  0.899  0.738  0.699  1.0
  Se  Se8  1  0.373  0.516  0.810  1.0
  Se  Se9  1  0.627  0.016  0.190  1.0
  Se  Se10  1  0.127  0.516  0.310  1.0
  Se  Se11  1  0.873  0.016  0.690  1.0
  Se  Se12  1  0.607  0.450  0.908  1.0
  Se  Se13  1  0.393  0.950  0.092  1.0
  Se  Se14  1  0.893  0.450  0.408  1.0
  Se  Se15  1  0.107  0.950  0.592  1.0
  Se  Se16  1  0.716  0.075  0.923  1.0
  Se  Se17  1  0.284  0.575  0.077  1.0
  Se  Se18  1  0.784  0.075  0.423  1.0
  Se  Se19  1  0.216  0.575  0.577  1.0
  Br  Br20  1  0.880  0.253  0.011  1.0
  Br  Br21  1  0.120  0.753  0.989  1.0
  Br  Br22  1  0.620  0.253  0.511  1.0
  Br  Br23  1  0.380  0.753  0.489  1.0
  Br  Br24  1  0.531  0.904  0.830  1.0
  Br  Br25  1  0.469  0.404  0.170  1.0
  Br  Br26  1  0.969  0.904  0.330  1.0
  Br  Br27  1  0.031  0.404  0.670  1.0
[/CIF]
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The material described by C(Se2Br)2 is Indium-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four C(Se2Br)2 clusters. C(1) is bonded in a trigonal planar geometry to one Se(1), one Se(3), and one Se(4) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one C(1), one Se(2), and one Br(2) atom. In the second Se site, Se(2) is bonded in an L-shaped geometry to one Se(1) and one Se(3) atom. In the third Se site, Se(3) is bonded in a distorted T-shaped geometry to one C(1), one Se(2), and one Br(1) atom. In the fourth Se site, Se(4) is bonded in a T-shaped geometry to one C(1), one Br(1), and one Br(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to one Se(3) and one Se(4) atom. In the second Br site, Br(2) is bonded in a 2-coordinate geometry to one Se(1) and one Se(4) atom. is represented by the CIF card [CIF]
data_C(Se2Br)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.376
_cell_length_b   8.575
_cell_length_c   21.399
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   803.079
_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
  C  C0  1  0.580  0.247  0.879  1.0
  C  C1  1  0.420  0.747  0.121  1.0
  C  C2  1  0.920  0.247  0.379  1.0
  C  C3  1  0.080  0.747  0.621  1.0
  Se  Se4  1  0.399  0.238  0.801  1.0
  Se  Se5  1  0.601  0.738  0.199  1.0
  Se  Se6  1  0.101  0.238  0.301  1.0
  Se  Se7  1  0.899  0.738  0.699  1.0
  Se  Se8  1  0.373  0.516  0.810  1.0
  Se  Se9  1  0.627  0.016  0.190  1.0
  Se  Se10  1  0.127  0.516  0.310  1.0
  Se  Se11  1  0.873  0.016  0.690  1.0
  Se  Se12  1  0.607  0.450  0.908  1.0
  Se  Se13  1  0.393  0.950  0.092  1.0
  Se  Se14  1  0.893  0.450  0.408  1.0
  Se  Se15  1  0.107  0.950  0.592  1.0
  Se  Se16  1  0.716  0.075  0.923  1.0
  Se  Se17  1  0.284  0.575  0.077  1.0
  Se  Se18  1  0.784  0.075  0.423  1.0
  Se  Se19  1  0.216  0.575  0.577  1.0
  Br  Br20  1  0.880  0.253  0.011  1.0
  Br  Br21  1  0.120  0.753  0.989  1.0
  Br  Br22  1  0.620  0.253  0.511  1.0
  Br  Br23  1  0.380  0.753  0.489  1.0
  Br  Br24  1  0.531  0.904  0.830  1.0
  Br  Br25  1  0.469  0.404  0.170  1.0
  Br  Br26  1  0.969  0.904  0.330  1.0
  Br  Br27  1  0.031  0.404  0.670  1.0
[/CIF]
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