The crystal structure described by CdGa(AgSe2)2 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. Ag(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form AgSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra, corners with four equivalent Cd(1)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. Cd(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form CdSe4 tetrahedra that share corners with four equivalent Ga(1)Se4 tetrahedra and corners with eight equivalent Ag(1)Se4 tetrahedra. Ga(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form GaSe4 tetrahedra that share corners with four equivalent Cd(1)Se4 tetrahedra and corners with eight equivalent Ag(1)Se4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Ag(1), one Cd(1), and one Ga(1) atom to form corner-sharing SeCdGaAg2 tetrahedra. In the second Se site, Se(2) is bonded to two equivalent Ag(1), one Cd(1), and one Ga(1) atom to form corner-sharing SeCdGaAg2 tetrahedra. In the third Se site, Se(3) is bonded to two equivalent Ag(1), one Cd(1), and one Ga(1) atom to form corner-sharing SeCdGaAg2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdGa(AgSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.104
_cell_length_b   7.482
_cell_length_c   8.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   433.663
_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  0.508  0.350  0.000  1.0
  Cd  Cd1  1  0.008  0.650  0.500  1.0
  Ga  Ga2  1  0.997  0.670  0.000  1.0
  Ga  Ga3  1  0.497  0.330  0.500  1.0
  Ag  Ag4  1  0.517  0.827  0.752  1.0
  Ag  Ag5  1  0.017  0.173  0.748  1.0
  Ag  Ag6  1  0.017  0.173  0.252  1.0
  Ag  Ag7  1  0.517  0.827  0.248  1.0
  Se  Se8  1  0.889  0.358  0.000  1.0
  Se  Se9  1  0.389  0.642  0.500  1.0
  Se  Se10  1  0.889  0.835  0.761  1.0
  Se  Se11  1  0.389  0.165  0.739  1.0
  Se  Se12  1  0.389  0.165  0.261  1.0
  Se  Se13  1  0.889  0.835  0.239  1.0
  Se  Se14  1  0.347  0.674  0.000  1.0
  Se  Se15  1  0.847  0.326  0.500  1.0
[/CIF]
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The crystal structure described by CdGa(AgSe2)2 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. Ag(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form AgSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra, corners with four equivalent Cd(1)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. Cd(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form CdSe4 tetrahedra that share corners with four equivalent Ga(1)Se4 tetrahedra and corners with eight equivalent Ag(1)Se4 tetrahedra. Ga(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form GaSe4 tetrahedra that share corners with four equivalent Cd(1)Se4 tetrahedra and corners with eight equivalent Ag(1)Se4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Ag(1), one Cd(1), and one Ga(1) atom to form corner-sharing SeCdGaAg2 tetrahedra. In the second Se site, Se(2) is bonded to two equivalent Ag(1), one Cd(1), and one Ga(1) atom to form corner-sharing SeCdGaAg2 tetrahedra. In the third Se site, Se(3) is bonded to two equivalent Ag(1), one Cd(1), and one Ga(1) atom to form corner-sharing SeCdGaAg2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdGa(AgSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.104
_cell_length_b   7.482
_cell_length_c   8.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   433.663
_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  0.508  0.350  0.000  1.0
  Cd  Cd1  1  0.008  0.650  0.500  1.0
  Ga  Ga2  1  0.997  0.670  0.000  1.0
  Ga  Ga3  1  0.497  0.330  0.500  1.0
  Ag  Ag4  1  0.517  0.827  0.752  1.0
  Ag  Ag5  1  0.017  0.173  0.748  1.0
  Ag  Ag6  1  0.017  0.173  0.252  1.0
  Ag  Ag7  1  0.517  0.827  0.248  1.0
  Se  Se8  1  0.889  0.358  0.000  1.0
  Se  Se9  1  0.389  0.642  0.500  1.0
  Se  Se10  1  0.889  0.835  0.761  1.0
  Se  Se11  1  0.389  0.165  0.739  1.0
  Se  Se12  1  0.389  0.165  0.261  1.0
  Se  Se13  1  0.889  0.835  0.239  1.0
  Se  Se14  1  0.347  0.674  0.000  1.0
  Se  Se15  1  0.847  0.326  0.500  1.0
[/CIF]
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