The crystal structure described by Ca5CdN4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Ca site, Ca(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CaN4 tetrahedra that share corners with four equivalent Cd(1)N4 tetrahedra. Cd(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CdN4 tetrahedra that share corners with four equivalent Ca(2)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Ca(2), four equivalent Ca(1), and one Cd(1) atom. In the second N site, N(2) is bonded to one Ca(2), four equivalent Ca(1), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing NCa5Cd octahedra. The corner-sharing octahedral tilt angles range from 63-64°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca5CdN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.143
_cell_length_b   7.591
_cell_length_c   5.922
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.040
_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
  Ca  Ca0  1  0.551  0.503  0.247  1.0
  Ca  Ca1  1  0.949  0.503  0.247  1.0
  Ca  Ca2  1  0.551  0.997  0.247  1.0
  Ca  Ca3  1  0.949  0.997  0.247  1.0
  Ca  Ca4  1  0.449  0.497  0.753  1.0
  Ca  Ca5  1  0.051  0.497  0.753  1.0
  Ca  Ca6  1  0.449  0.003  0.753  1.0
  Ca  Ca7  1  0.051  0.003  0.753  1.0
  Ca  Ca8  1  0.750  0.750  0.712  1.0
  Ca  Ca9  1  0.250  0.250  0.288  1.0
  Cd  Cd10  1  0.750  0.250  0.715  1.0
  Cd  Cd11  1  0.250  0.750  0.285  1.0
  N  N12  1  0.750  0.999  0.945  1.0
  N  N13  1  0.750  0.501  0.945  1.0
  N  N14  1  0.250  0.001  0.055  1.0
  N  N15  1  0.250  0.499  0.055  1.0
  N  N16  1  0.504  0.750  0.500  1.0
  N  N17  1  0.996  0.750  0.500  1.0
  N  N18  1  0.496  0.250  0.500  1.0
  N  N19  1  0.004  0.250  0.500  1.0
[/CIF]
.
The crystal structure described by Ca5CdN4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Ca site, Ca(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CaN4 tetrahedra that share corners with four equivalent Cd(1)N4 tetrahedra. Cd(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CdN4 tetrahedra that share corners with four equivalent Ca(2)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Ca(2), four equivalent Ca(1), and one Cd(1) atom. In the second N site, N(2) is bonded to one Ca(2), four equivalent Ca(1), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing NCa5Cd octahedra. The corner-sharing octahedral tilt angles range from 63-64°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca5CdN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.143
_cell_length_b   7.591
_cell_length_c   5.922
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.040
_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
  Ca  Ca0  1  0.551  0.503  0.247  1.0
  Ca  Ca1  1  0.949  0.503  0.247  1.0
  Ca  Ca2  1  0.551  0.997  0.247  1.0
  Ca  Ca3  1  0.949  0.997  0.247  1.0
  Ca  Ca4  1  0.449  0.497  0.753  1.0
  Ca  Ca5  1  0.051  0.497  0.753  1.0
  Ca  Ca6  1  0.449  0.003  0.753  1.0
  Ca  Ca7  1  0.051  0.003  0.753  1.0
  Ca  Ca8  1  0.750  0.750  0.712  1.0
  Ca  Ca9  1  0.250  0.250  0.288  1.0
  Cd  Cd10  1  0.750  0.250  0.715  1.0
  Cd  Cd11  1  0.250  0.750  0.285  1.0
  N  N12  1  0.750  0.999  0.945  1.0
  N  N13  1  0.750  0.501  0.945  1.0
  N  N14  1  0.250  0.001  0.055  1.0
  N  N15  1  0.250  0.499  0.055  1.0
  N  N16  1  0.504  0.750  0.500  1.0
  N  N17  1  0.996  0.750  0.500  1.0
  N  N18  1  0.496  0.250  0.500  1.0
  N  N19  1  0.004  0.250  0.500  1.0
[/CIF]
.