The compound described by Cd3Al2N4 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 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. Al(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of corner and edge-sharing AlN4 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 Al(1) atoms to form a mixture of distorted corner and edge-sharing NAl2Cd3 trigonal bipyramids. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Al2Cd3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   9.173
_cell_length_c   5.610
_cell_angle_alpha   90.000
_cell_angle_beta   92.517
_cell_angle_gamma   133.710
_symmetry_Int_Tables_number   1
_cell_volume   246.408
_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
  Al  Al0  1  0.549  0.160  0.597  1.0
  Al  Al1  1  0.451  0.611  0.903  1.0
  Al  Al2  1  0.451  0.840  0.403  1.0
  Al  Al3  1  0.549  0.389  0.097  1.0
  Cd  Cd4  1  0.221  0.948  0.068  1.0
  Cd  Cd5  1  0.779  0.727  0.432  1.0
  Cd  Cd6  1  0.779  0.052  0.932  1.0
  Cd  Cd7  1  0.221  0.273  0.568  1.0
  Cd  Cd8  1  0.000  0.606  0.750  1.0
  Cd  Cd9  1  0.000  0.394  0.250  1.0
  N  N10  1  0.225  0.891  0.493  1.0
  N  N11  1  0.775  0.666  0.007  1.0
  N  N12  1  0.775  0.109  0.507  1.0
  N  N13  1  0.225  0.334  0.993  1.0
  N  N14  1  0.608  0.242  0.927  1.0
  N  N15  1  0.392  0.634  0.573  1.0
  N  N16  1  0.392  0.758  0.073  1.0
  N  N17  1  0.608  0.366  0.427  1.0
[/CIF]
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The compound described by Cd3Al2N4 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 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. Al(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of corner and edge-sharing AlN4 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 Al(1) atoms to form a mixture of distorted corner and edge-sharing NAl2Cd3 trigonal bipyramids. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Al2Cd3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   9.173
_cell_length_c   5.610
_cell_angle_alpha   90.000
_cell_angle_beta   92.517
_cell_angle_gamma   133.710
_symmetry_Int_Tables_number   1
_cell_volume   246.408
_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
  Al  Al0  1  0.549  0.160  0.597  1.0
  Al  Al1  1  0.451  0.611  0.903  1.0
  Al  Al2  1  0.451  0.840  0.403  1.0
  Al  Al3  1  0.549  0.389  0.097  1.0
  Cd  Cd4  1  0.221  0.948  0.068  1.0
  Cd  Cd5  1  0.779  0.727  0.432  1.0
  Cd  Cd6  1  0.779  0.052  0.932  1.0
  Cd  Cd7  1  0.221  0.273  0.568  1.0
  Cd  Cd8  1  0.000  0.606  0.750  1.0
  Cd  Cd9  1  0.000  0.394  0.250  1.0
  N  N10  1  0.225  0.891  0.493  1.0
  N  N11  1  0.775  0.666  0.007  1.0
  N  N12  1  0.775  0.109  0.507  1.0
  N  N13  1  0.225  0.334  0.993  1.0
  N  N14  1  0.608  0.242  0.927  1.0
  N  N15  1  0.392  0.634  0.573  1.0
  N  N16  1  0.392  0.758  0.073  1.0
  N  N17  1  0.608  0.366  0.427  1.0
[/CIF]
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