The material described by Cd3(InN2)2 is Chalcostibite-like structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 3-coordinate geometry to one N(2) and two equivalent N(1) atoms. In the second Cd site, Cd(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CdN4 tetrahedra that share corners with eight equivalent In(1)N4 tetrahedra. In(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted InN4 tetrahedra that share corners with two equivalent In(1)N4 tetrahedra, corners with four equivalent Cd(2)N4 tetrahedra, and  an edgeedge with one In(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Cd(2), two equivalent Cd(1), and two equivalent In(1) atoms to form distorted NCd3In2 trigonal bipyramids that share corners with eight equivalent N(2)Cd2In2 tetrahedra,  a cornercorner with one N(1)Cd3In2 trigonal bipyramid, and edges with two equivalent N(1)Cd3In2 trigonal bipyramids. In the second N site, N(2) is bonded to one Cd(1), one Cd(2), and two equivalent In(1) atoms to form distorted NCd2In2 tetrahedra that share corners with three equivalent N(2)Cd2In2 tetrahedra and corners with eight equivalent N(1)Cd3In2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd3(InN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.177
_cell_length_b   10.587
_cell_length_c   5.939
_cell_angle_alpha   90.000
_cell_angle_beta   94.698
_cell_angle_gamma   137.518
_symmetry_Int_Tables_number   1
_cell_volume   302.497
_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
  Cd  Cd0  1  0.228  0.963  0.091  1.0
  Cd  Cd1  1  0.772  0.735  0.409  1.0
  Cd  Cd2  1  0.772  0.037  0.909  1.0
  Cd  Cd3  1  0.228  0.265  0.591  1.0
  Cd  Cd4  1  0.000  0.651  0.750  1.0
  Cd  Cd5  1  0.000  0.349  0.250  1.0
  In  In6  1  0.575  0.175  0.631  1.0
  In  In7  1  0.425  0.600  0.869  1.0
  In  In8  1  0.425  0.825  0.369  1.0
  In  In9  1  0.575  0.400  0.131  1.0
  N  N10  1  0.203  0.886  0.485  1.0
  N  N11  1  0.797  0.682  0.015  1.0
  N  N12  1  0.797  0.114  0.515  1.0
  N  N13  1  0.203  0.318  0.985  1.0
  N  N14  1  0.624  0.233  0.003  1.0
  N  N15  1  0.376  0.609  0.497  1.0
  N  N16  1  0.376  0.767  0.997  1.0
  N  N17  1  0.624  0.391  0.503  1.0
[/CIF]
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The material described by Cd3(InN2)2 is Chalcostibite-like structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 3-coordinate geometry to one N(2) and two equivalent N(1) atoms. In the second Cd site, Cd(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CdN4 tetrahedra that share corners with eight equivalent In(1)N4 tetrahedra. In(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted InN4 tetrahedra that share corners with two equivalent In(1)N4 tetrahedra, corners with four equivalent Cd(2)N4 tetrahedra, and  an edgeedge with one In(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Cd(2), two equivalent Cd(1), and two equivalent In(1) atoms to form distorted NCd3In2 trigonal bipyramids that share corners with eight equivalent N(2)Cd2In2 tetrahedra,  a cornercorner with one N(1)Cd3In2 trigonal bipyramid, and edges with two equivalent N(1)Cd3In2 trigonal bipyramids. In the second N site, N(2) is bonded to one Cd(1), one Cd(2), and two equivalent In(1) atoms to form distorted NCd2In2 tetrahedra that share corners with three equivalent N(2)Cd2In2 tetrahedra and corners with eight equivalent N(1)Cd3In2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd3(InN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.177
_cell_length_b   10.587
_cell_length_c   5.939
_cell_angle_alpha   90.000
_cell_angle_beta   94.698
_cell_angle_gamma   137.518
_symmetry_Int_Tables_number   1
_cell_volume   302.497
_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
  Cd  Cd0  1  0.228  0.963  0.091  1.0
  Cd  Cd1  1  0.772  0.735  0.409  1.0
  Cd  Cd2  1  0.772  0.037  0.909  1.0
  Cd  Cd3  1  0.228  0.265  0.591  1.0
  Cd  Cd4  1  0.000  0.651  0.750  1.0
  Cd  Cd5  1  0.000  0.349  0.250  1.0
  In  In6  1  0.575  0.175  0.631  1.0
  In  In7  1  0.425  0.600  0.869  1.0
  In  In8  1  0.425  0.825  0.369  1.0
  In  In9  1  0.575  0.400  0.131  1.0
  N  N10  1  0.203  0.886  0.485  1.0
  N  N11  1  0.797  0.682  0.015  1.0
  N  N12  1  0.797  0.114  0.515  1.0
  N  N13  1  0.203  0.318  0.985  1.0
  N  N14  1  0.624  0.233  0.003  1.0
  N  N15  1  0.376  0.609  0.497  1.0
  N  N16  1  0.376  0.767  0.997  1.0
  N  N17  1  0.624  0.391  0.503  1.0
[/CIF]
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