The material described by Zr(CdN)4 is Aluminum carbonitride-like structured and crystallizes in the triclinic P-1 space group. Zr(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. In the third Cd site, Cd(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(4) atoms. In the fourth Cd site, Cd(4) is bonded in a rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(1) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Zr(1), one Cd(1), two equivalent Cd(3), and two equivalent Cd(4) atoms to form distorted NZrCd5 octahedra that share corners with two equivalent N(2)ZrCd3 tetrahedra, corners with two equivalent N(4)ZrCd4 trigonal bipyramids, edges with two equivalent N(1)ZrCd5 octahedra, and edges with three equivalent N(4)ZrCd4 trigonal bipyramids. In the second N site, N(2) is bonded to one Zr(1), one Cd(1), and two equivalent Cd(2) atoms to form NZrCd3 tetrahedra that share corners with two equivalent N(1)ZrCd5 octahedra, corners with two equivalent N(4)ZrCd4 trigonal bipyramids, and  an edgeedge with one N(2)ZrCd3 tetrahedra. The corner-sharing octahedral tilt angles range from 60-68°. In the third N site, N(3) is bonded in a 5-coordinate geometry to one Zr(1), one Cd(1), one Cd(4), and two equivalent Cd(2) atoms. In the fourth N site, N(4) is bonded to one Zr(1), one Cd(1), one Cd(4), and two equivalent Cd(3) atoms to form distorted NZrCd4 trigonal bipyramids that share corners with two equivalent N(1)ZrCd5 octahedra, corners with two equivalent N(2)ZrCd3 tetrahedra, edges with three equivalent N(1)ZrCd5 octahedra, and  an edgeedge with one N(4)ZrCd4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-76°. is represented by the CIF file [CIF]
data_Zr(CdN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.062
_cell_length_b   6.032
_cell_length_c   9.142
_cell_angle_alpha   68.986
_cell_angle_beta   85.705
_cell_angle_gamma   68.491
_symmetry_Int_Tables_number   1
_cell_volume   289.716
_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
  Zr  Zr0  1  0.721  0.838  0.775  1.0
  Zr  Zr1  1  0.279  0.162  0.225  1.0
  Cd  Cd2  1  0.713  0.632  0.195  1.0
  Cd  Cd3  1  0.287  0.368  0.805  1.0
  Cd  Cd4  1  0.759  0.230  0.000  1.0
  Cd  Cd5  1  0.241  0.770  1.000  1.0
  Cd  Cd6  1  0.755  0.474  0.572  1.0
  Cd  Cd7  1  0.245  0.526  0.428  1.0
  Cd  Cd8  1  0.254  0.922  0.586  1.0
  Cd  Cd9  1  0.746  0.078  0.414  1.0
  N  N10  1  0.966  0.702  0.614  1.0
  N  N11  1  0.034  0.298  0.386  1.0
  N  N12  1  0.849  0.836  0.982  1.0
  N  N13  1  0.151  0.164  0.018  1.0
  N  N14  1  0.478  0.651  0.812  1.0
  N  N15  1  0.522  0.349  0.188  1.0
  N  N16  1  0.460  0.785  0.369  1.0
  N  N17  1  0.540  0.215  0.631  1.0
[/CIF]
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The material described by Zr(CdN)4 is Aluminum carbonitride-like structured and crystallizes in the triclinic P-1 space group. Zr(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. In the third Cd site, Cd(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(4) atoms. In the fourth Cd site, Cd(4) is bonded in a rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(1) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Zr(1), one Cd(1), two equivalent Cd(3), and two equivalent Cd(4) atoms to form distorted NZrCd5 octahedra that share corners with two equivalent N(2)ZrCd3 tetrahedra, corners with two equivalent N(4)ZrCd4 trigonal bipyramids, edges with two equivalent N(1)ZrCd5 octahedra, and edges with three equivalent N(4)ZrCd4 trigonal bipyramids. In the second N site, N(2) is bonded to one Zr(1), one Cd(1), and two equivalent Cd(2) atoms to form NZrCd3 tetrahedra that share corners with two equivalent N(1)ZrCd5 octahedra, corners with two equivalent N(4)ZrCd4 trigonal bipyramids, and  an edgeedge with one N(2)ZrCd3 tetrahedra. The corner-sharing octahedral tilt angles range from 60-68°. In the third N site, N(3) is bonded in a 5-coordinate geometry to one Zr(1), one Cd(1), one Cd(4), and two equivalent Cd(2) atoms. In the fourth N site, N(4) is bonded to one Zr(1), one Cd(1), one Cd(4), and two equivalent Cd(3) atoms to form distorted NZrCd4 trigonal bipyramids that share corners with two equivalent N(1)ZrCd5 octahedra, corners with two equivalent N(2)ZrCd3 tetrahedra, edges with three equivalent N(1)ZrCd5 octahedra, and  an edgeedge with one N(4)ZrCd4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-76°. is represented by the CIF file [CIF]
data_Zr(CdN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.062
_cell_length_b   6.032
_cell_length_c   9.142
_cell_angle_alpha   68.986
_cell_angle_beta   85.705
_cell_angle_gamma   68.491
_symmetry_Int_Tables_number   1
_cell_volume   289.716
_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
  Zr  Zr0  1  0.721  0.838  0.775  1.0
  Zr  Zr1  1  0.279  0.162  0.225  1.0
  Cd  Cd2  1  0.713  0.632  0.195  1.0
  Cd  Cd3  1  0.287  0.368  0.805  1.0
  Cd  Cd4  1  0.759  0.230  0.000  1.0
  Cd  Cd5  1  0.241  0.770  1.000  1.0
  Cd  Cd6  1  0.755  0.474  0.572  1.0
  Cd  Cd7  1  0.245  0.526  0.428  1.0
  Cd  Cd8  1  0.254  0.922  0.586  1.0
  Cd  Cd9  1  0.746  0.078  0.414  1.0
  N  N10  1  0.966  0.702  0.614  1.0
  N  N11  1  0.034  0.298  0.386  1.0
  N  N12  1  0.849  0.836  0.982  1.0
  N  N13  1  0.151  0.164  0.018  1.0
  N  N14  1  0.478  0.651  0.812  1.0
  N  N15  1  0.522  0.349  0.188  1.0
  N  N16  1  0.460  0.785  0.369  1.0
  N  N17  1  0.540  0.215  0.631  1.0
[/CIF]
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