The structure described by Cu3N crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to four equivalent Cu(3), one N(1), and one N(2) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent N(2) atoms. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one Cu(3) and four equivalent Cu(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the second N site, N(2) is bonded to two equivalent Cu(1) and four equivalent Cu(2) atoms to form corner-sharing NCu6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Cu3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.705
_cell_length_b   3.705
_cell_length_c   7.361
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.028
_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
  Cu  Cu0  1  0.000  0.000  0.762  1.0
  Cu  Cu1  1  0.000  0.000  0.238  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.500  0.829  1.0
  Cu  Cu5  1  0.500  0.500  0.171  1.0
  N  N6  1  0.000  0.000  0.000  1.0
  N  N7  1  0.000  0.000  0.500  1.0
[/CIF]
.
The structure described by Cu3N crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to four equivalent Cu(3), one N(1), and one N(2) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent N(2) atoms. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one Cu(3) and four equivalent Cu(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the second N site, N(2) is bonded to two equivalent Cu(1) and four equivalent Cu(2) atoms to form corner-sharing NCu6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Cu3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.705
_cell_length_b   3.705
_cell_length_c   7.361
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.028
_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
  Cu  Cu0  1  0.000  0.000  0.762  1.0
  Cu  Cu1  1  0.000  0.000  0.238  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.500  0.829  1.0
  Cu  Cu5  1  0.500  0.500  0.171  1.0
  N  N6  1  0.000  0.000  0.000  1.0
  N  N7  1  0.000  0.000  0.500  1.0
[/CIF]
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