The material structure described by Cd3Ga3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted trigonal planar geometry to 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 one N(1), one N(3), and two equivalent N(5) atoms. In the third Cd site, Cd(3) is bonded to one N(1), one N(2), one N(3), and one N(5) atom to form distorted CdN4 tetrahedra that share corners with two equivalent Ga(2)N4 tetrahedra, corners with three equivalent Ga(3)N4 tetrahedra, and corners with four equivalent Ga(1)N4 tetrahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form GaN4 tetrahedra that share  a cornercorner with one Ga(2)N4 tetrahedra, corners with two equivalent Ga(3)N4 tetrahedra, corners with four equivalent Cd(3)N4 tetrahedra, and  an edgeedge with one Ga(1)N4 tetrahedra. In the second Ga site, Ga(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form GaN4 tetrahedra that share  a cornercorner with one Ga(1)N4 tetrahedra, corners with two equivalent Cd(3)N4 tetrahedra, corners with two equivalent Ga(3)N4 tetrahedra,  an edgeedge with one Ga(2)N4 tetrahedra, and  an edgeedge with one Ga(3)N4 tetrahedra. In the third Ga site, Ga(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form GaN4 tetrahedra that share corners with two equivalent Ga(1)N4 tetrahedra, corners with two equivalent Ga(2)N4 tetrahedra, corners with three equivalent Cd(3)N4 tetrahedra, and  an edgeedge with one Ga(2)N4 tetrahedra. There are five inequivalent N sites. In the first N site, N(1) is bonded to one Cd(2), one Cd(3), one Ga(1), one Ga(2), and one Ga(3) atom to form distorted corner-sharing NCd2Ga3 square pyramids. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Cd(1), one Cd(3), one Ga(2), and one Ga(3) atom. In the third N site, N(3) is bonded in a 5-coordinate geometry to one Cd(1), one Cd(2), one Cd(3), and two equivalent Ga(1) atoms. In the fourth N site, N(4) is bonded to one Cd(1), one Ga(3), and two equivalent Ga(2) atoms to form distorted NCdGa3 trigonal pyramids that share corners with three equivalent N(1)Cd2Ga3 square pyramids and  an edgeedge with one N(4)CdGa3 trigonal pyramid. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Cd(3), two equivalent Cd(2), one Ga(1), and one Ga(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd3Ga3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.851
_cell_length_b   7.020
_cell_length_c   8.704
_cell_angle_alpha   107.309
_cell_angle_beta   105.027
_cell_angle_gamma   100.313
_symmetry_Int_Tables_number   1
_cell_volume   316.650
_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  0.715  0.437  0.609  1.0
  Cd  Cd1  1  0.285  0.563  0.391  1.0
  Cd  Cd2  1  0.657  0.825  0.966  1.0
  Cd  Cd3  1  0.343  0.175  0.034  1.0
  Cd  Cd4  1  0.735  0.609  0.243  1.0
  Cd  Cd5  1  0.265  0.391  0.757  1.0
  Ga  Ga6  1  0.898  0.304  0.971  1.0
  Ga  Ga7  1  0.102  0.696  0.029  1.0
  Ga  Ga8  1  0.705  0.960  0.594  1.0
  Ga  Ga9  1  0.295  0.040  0.406  1.0
  Ga  Ga10  1  0.129  0.847  0.687  1.0
  Ga  Ga11  1  0.871  0.153  0.313  1.0
  N  N12  1  0.003  0.116  0.798  1.0
  N  N13  1  0.997  0.884  0.202  1.0
  N  N14  1  0.798  0.702  0.523  1.0
  N  N15  1  0.202  0.298  0.477  1.0
  N  N16  1  0.749  0.497  0.881  1.0
  N  N17  1  0.251  0.503  0.119  1.0
  N  N18  1  0.355  0.899  0.572  1.0
  N  N19  1  0.645  0.101  0.428  1.0
  N  N20  1  0.259  0.757  0.873  1.0
  N  N21  1  0.741  0.243  0.127  1.0
[/CIF]
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The material structure described by Cd3Ga3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted trigonal planar geometry to 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 one N(1), one N(3), and two equivalent N(5) atoms. In the third Cd site, Cd(3) is bonded to one N(1), one N(2), one N(3), and one N(5) atom to form distorted CdN4 tetrahedra that share corners with two equivalent Ga(2)N4 tetrahedra, corners with three equivalent Ga(3)N4 tetrahedra, and corners with four equivalent Ga(1)N4 tetrahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form GaN4 tetrahedra that share  a cornercorner with one Ga(2)N4 tetrahedra, corners with two equivalent Ga(3)N4 tetrahedra, corners with four equivalent Cd(3)N4 tetrahedra, and  an edgeedge with one Ga(1)N4 tetrahedra. In the second Ga site, Ga(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form GaN4 tetrahedra that share  a cornercorner with one Ga(1)N4 tetrahedra, corners with two equivalent Cd(3)N4 tetrahedra, corners with two equivalent Ga(3)N4 tetrahedra,  an edgeedge with one Ga(2)N4 tetrahedra, and  an edgeedge with one Ga(3)N4 tetrahedra. In the third Ga site, Ga(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form GaN4 tetrahedra that share corners with two equivalent Ga(1)N4 tetrahedra, corners with two equivalent Ga(2)N4 tetrahedra, corners with three equivalent Cd(3)N4 tetrahedra, and  an edgeedge with one Ga(2)N4 tetrahedra. There are five inequivalent N sites. In the first N site, N(1) is bonded to one Cd(2), one Cd(3), one Ga(1), one Ga(2), and one Ga(3) atom to form distorted corner-sharing NCd2Ga3 square pyramids. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Cd(1), one Cd(3), one Ga(2), and one Ga(3) atom. In the third N site, N(3) is bonded in a 5-coordinate geometry to one Cd(1), one Cd(2), one Cd(3), and two equivalent Ga(1) atoms. In the fourth N site, N(4) is bonded to one Cd(1), one Ga(3), and two equivalent Ga(2) atoms to form distorted NCdGa3 trigonal pyramids that share corners with three equivalent N(1)Cd2Ga3 square pyramids and  an edgeedge with one N(4)CdGa3 trigonal pyramid. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Cd(3), two equivalent Cd(2), one Ga(1), and one Ga(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd3Ga3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.851
_cell_length_b   7.020
_cell_length_c   8.704
_cell_angle_alpha   107.309
_cell_angle_beta   105.027
_cell_angle_gamma   100.313
_symmetry_Int_Tables_number   1
_cell_volume   316.650
_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  0.715  0.437  0.609  1.0
  Cd  Cd1  1  0.285  0.563  0.391  1.0
  Cd  Cd2  1  0.657  0.825  0.966  1.0
  Cd  Cd3  1  0.343  0.175  0.034  1.0
  Cd  Cd4  1  0.735  0.609  0.243  1.0
  Cd  Cd5  1  0.265  0.391  0.757  1.0
  Ga  Ga6  1  0.898  0.304  0.971  1.0
  Ga  Ga7  1  0.102  0.696  0.029  1.0
  Ga  Ga8  1  0.705  0.960  0.594  1.0
  Ga  Ga9  1  0.295  0.040  0.406  1.0
  Ga  Ga10  1  0.129  0.847  0.687  1.0
  Ga  Ga11  1  0.871  0.153  0.313  1.0
  N  N12  1  0.003  0.116  0.798  1.0
  N  N13  1  0.997  0.884  0.202  1.0
  N  N14  1  0.798  0.702  0.523  1.0
  N  N15  1  0.202  0.298  0.477  1.0
  N  N16  1  0.749  0.497  0.881  1.0
  N  N17  1  0.251  0.503  0.119  1.0
  N  N18  1  0.355  0.899  0.572  1.0
  N  N19  1  0.645  0.101  0.428  1.0
  N  N20  1  0.259  0.757  0.873  1.0
  N  N21  1  0.741  0.243  0.127  1.0
[/CIF]
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