The structure described by CaCuN crystallizes in the hexagonal P-6m2 space group. Ca(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. Cu(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to three equivalent Ca(1) and two equivalent Cu(1) atoms to form corner-sharing NCa3Cu2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.167
_cell_length_b   4.167
_cell_length_c   3.683
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   55.374
_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
  Ca  Ca0  1  0.000  0.000  0.500  1.0
  Cu  Cu1  1  0.667  0.333  0.000  1.0
  N  N2  1  0.667  0.333  0.500  1.0
[/CIF]
.
The structure described by CaCuN crystallizes in the hexagonal P-6m2 space group. Ca(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. Cu(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to three equivalent Ca(1) and two equivalent Cu(1) atoms to form corner-sharing NCa3Cu2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.167
_cell_length_b   4.167
_cell_length_c   3.683
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   55.374
_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
  Ca  Ca0  1  0.000  0.000  0.500  1.0
  Cu  Cu1  1  0.667  0.333  0.000  1.0
  N  N2  1  0.667  0.333  0.500  1.0
[/CIF]
.