The crystal structure described by CuN6(Br)2 crystallizes in the cubic Fm-3m space group. The structure consists of eight hydrogen bromide atoms inside a CuN6 framework. In the CuN6 framework, Cu(1) is bonded in a distorted octahedral geometry to six equivalent N(1) atoms. N(1) is bonded in a 5-coordinate geometry to one Cu(1) and four equivalent N(1) atoms. is represented by the CIF card [CIF]
data_Cu(BrN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.703
_cell_length_b   5.703
_cell_length_c   5.703
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   131.177
_cell_formula_units_Z   1
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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Br  Br1  1  0.750  0.750  0.750  1.0
  Br  Br2  1  0.250  0.250  0.250  1.0
  N  N3  1  0.651  0.651  0.349  1.0
  N  N4  1  0.349  0.651  0.349  1.0
  N  N5  1  0.651  0.349  0.349  1.0
  N  N6  1  0.349  0.349  0.651  1.0
  N  N7  1  0.651  0.349  0.651  1.0
  N  N8  1  0.349  0.651  0.651  1.0
[/CIF]
.
The crystal structure described by CuN6(Br)2 crystallizes in the cubic Fm-3m space group. The structure consists of eight hydrogen bromide atoms inside a CuN6 framework. In the CuN6 framework, Cu(1) is bonded in a distorted octahedral geometry to six equivalent N(1) atoms. N(1) is bonded in a 5-coordinate geometry to one Cu(1) and four equivalent N(1) atoms. is represented by the CIF card [CIF]
data_Cu(BrN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.703
_cell_length_b   5.703
_cell_length_c   5.703
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   131.177
_cell_formula_units_Z   1
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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Br  Br1  1  0.750  0.750  0.750  1.0
  Br  Br2  1  0.250  0.250  0.250  1.0
  N  N3  1  0.651  0.651  0.349  1.0
  N  N4  1  0.349  0.651  0.349  1.0
  N  N5  1  0.651  0.349  0.349  1.0
  N  N6  1  0.349  0.349  0.651  1.0
  N  N7  1  0.651  0.349  0.651  1.0
  N  N8  1  0.349  0.651  0.651  1.0
[/CIF]
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