The compound described by Ca2CdN2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted CaN4 tetrahedra that share corners with six equivalent Ca(2)N5 square pyramids, corners with two equivalent Ca(1)N4 tetrahedra, edges with two equivalent Ca(2)N5 square pyramids, and  an edgeedge with one Ca(1)N4 tetrahedra. In the second Ca site, Ca(2) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form distorted CaN5 square pyramids that share corners with two equivalent Ca(2)N5 square pyramids, corners with six equivalent Ca(1)N4 tetrahedra, edges with three equivalent Ca(2)N5 square pyramids, and edges with two equivalent Ca(1)N4 tetrahedra. Cd(1) is bonded in a distorted trigonal non-coplanar geometry to one N(2) and two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Cd(1) atoms. In the second N site, N(2) is bonded to two equivalent Ca(1), three equivalent Ca(2), and one Cd(1) atom to form a mixture of corner and edge-sharing NCa5Cd octahedra. The corner-sharing octahedral tilt angles are 13°. is represented by the CIF file [CIF]
data_Ca2CdN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.056
_cell_length_b   7.525
_cell_length_c   6.386
_cell_angle_alpha   90.000
_cell_angle_beta   91.965
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   338.929
_cell_formula_units_Z   4
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  0.357  0.360  0.917  1.0
  Ca  Ca1  1  0.643  0.860  0.583  1.0
  Ca  Ca2  1  0.643  0.640  0.083  1.0
  Ca  Ca3  1  0.357  0.140  0.417  1.0
  Ca  Ca4  1  0.973  0.141  0.751  1.0
  Ca  Ca5  1  0.027  0.641  0.749  1.0
  Ca  Ca6  1  0.027  0.859  0.249  1.0
  Ca  Ca7  1  0.973  0.359  0.251  1.0
  Cd  Cd8  1  0.681  0.411  0.582  1.0
  Cd  Cd9  1  0.319  0.911  0.918  1.0
  Cd  Cd10  1  0.319  0.589  0.418  1.0
  Cd  Cd11  1  0.681  0.089  0.082  1.0
  N  N12  1  0.266  0.865  0.571  1.0
  N  N13  1  0.734  0.365  0.929  1.0
  N  N14  1  0.734  0.135  0.429  1.0
  N  N15  1  0.266  0.635  0.071  1.0
  N  N16  1  0.187  0.363  0.592  1.0
  N  N17  1  0.813  0.863  0.908  1.0
  N  N18  1  0.813  0.637  0.408  1.0
  N  N19  1  0.187  0.137  0.092  1.0
[/CIF]
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The compound described by Ca2CdN2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted CaN4 tetrahedra that share corners with six equivalent Ca(2)N5 square pyramids, corners with two equivalent Ca(1)N4 tetrahedra, edges with two equivalent Ca(2)N5 square pyramids, and  an edgeedge with one Ca(1)N4 tetrahedra. In the second Ca site, Ca(2) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form distorted CaN5 square pyramids that share corners with two equivalent Ca(2)N5 square pyramids, corners with six equivalent Ca(1)N4 tetrahedra, edges with three equivalent Ca(2)N5 square pyramids, and edges with two equivalent Ca(1)N4 tetrahedra. Cd(1) is bonded in a distorted trigonal non-coplanar geometry to one N(2) and two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Cd(1) atoms. In the second N site, N(2) is bonded to two equivalent Ca(1), three equivalent Ca(2), and one Cd(1) atom to form a mixture of corner and edge-sharing NCa5Cd octahedra. The corner-sharing octahedral tilt angles are 13°. is represented by the CIF file [CIF]
data_Ca2CdN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.056
_cell_length_b   7.525
_cell_length_c   6.386
_cell_angle_alpha   90.000
_cell_angle_beta   91.965
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   338.929
_cell_formula_units_Z   4
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  0.357  0.360  0.917  1.0
  Ca  Ca1  1  0.643  0.860  0.583  1.0
  Ca  Ca2  1  0.643  0.640  0.083  1.0
  Ca  Ca3  1  0.357  0.140  0.417  1.0
  Ca  Ca4  1  0.973  0.141  0.751  1.0
  Ca  Ca5  1  0.027  0.641  0.749  1.0
  Ca  Ca6  1  0.027  0.859  0.249  1.0
  Ca  Ca7  1  0.973  0.359  0.251  1.0
  Cd  Cd8  1  0.681  0.411  0.582  1.0
  Cd  Cd9  1  0.319  0.911  0.918  1.0
  Cd  Cd10  1  0.319  0.589  0.418  1.0
  Cd  Cd11  1  0.681  0.089  0.082  1.0
  N  N12  1  0.266  0.865  0.571  1.0
  N  N13  1  0.734  0.365  0.929  1.0
  N  N14  1  0.734  0.135  0.429  1.0
  N  N15  1  0.266  0.635  0.071  1.0
  N  N16  1  0.187  0.363  0.592  1.0
  N  N17  1  0.813  0.863  0.908  1.0
  N  N18  1  0.813  0.637  0.408  1.0
  N  N19  1  0.187  0.137  0.092  1.0
[/CIF]
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