The material structure described by CaCN2 crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent N(1) atoms to form edge-sharing CaN6 octahedra. C(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to three equivalent Ca(1) and one C(1) atom to form a mixture of distorted edge and corner-sharing NCa3C tetrahedra. is represented by the CIF card [CIF]
data_CaCN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.379
_cell_length_b   5.379
_cell_length_c   5.379
_cell_angle_alpha   40.151
_cell_angle_beta   40.151
_cell_angle_gamma   40.151
_symmetry_Int_Tables_number   1
_cell_volume   58.334
_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  0.000  1.0
  C  C1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.417  0.417  0.417  1.0
  N  N3  1  0.583  0.583  0.583  1.0
[/CIF]
.
The material structure described by CaCN2 crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent N(1) atoms to form edge-sharing CaN6 octahedra. C(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to three equivalent Ca(1) and one C(1) atom to form a mixture of distorted edge and corner-sharing NCa3C tetrahedra. is represented by the CIF card [CIF]
data_CaCN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.379
_cell_length_b   5.379
_cell_length_c   5.379
_cell_angle_alpha   40.151
_cell_angle_beta   40.151
_cell_angle_gamma   40.151
_symmetry_Int_Tables_number   1
_cell_volume   58.334
_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  0.000  1.0
  C  C1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.417  0.417  0.417  1.0
  N  N3  1  0.583  0.583  0.583  1.0
[/CIF]
.