The material described by Cd2AgGaSe4 is Stannite-like structured and crystallizes in the monoclinic Cm space group. Ag(1) is bonded to one Se(1), one Se(4), and two equivalent Se(3) atoms to form AgSe4 tetrahedra that share corners with two equivalent Ag(1)Se4 tetrahedra, corners with three equivalent Cd(1)Se4 tetrahedra, corners with three equivalent Cd(2)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. There are two inequivalent Cd sites. In the first Cd site, 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 two equivalent Cd(1)Se4 tetrahedra, corners with three equivalent Ag(1)Se4 tetrahedra, corners with three equivalent Ga(1)Se4 tetrahedra, and corners with four equivalent Cd(2)Se4 tetrahedra. In the second Cd site, Cd(2) is bonded to one Se(2), one Se(4), and two equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with two equivalent Cd(2)Se4 tetrahedra, corners with three equivalent Ag(1)Se4 tetrahedra, corners with three equivalent Ga(1)Se4 tetrahedra, and corners with four equivalent Cd(1)Se4 tetrahedra. Ga(1) is bonded to one Se(2), one Se(3), and two equivalent Se(4) atoms to form GaSe4 tetrahedra that share corners with two equivalent Ga(1)Se4 tetrahedra, corners with three equivalent Cd(1)Se4 tetrahedra, corners with three equivalent Cd(2)Se4 tetrahedra, and corners with four equivalent Ag(1)Se4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one Ag(1), one Cd(1), and two equivalent Cd(2) atoms to form SeCd3Ag tetrahedra that share corners with two equivalent Se(1)Cd3Ag tetrahedra, corners with three equivalent Se(4)CdGa2Ag tetrahedra, corners with three equivalent Se(3)CdGaAg2 tetrahedra, and corners with four equivalent Se(2)Cd3Ga tetrahedra. In the second Se site, Se(2) is bonded to one Cd(2), two equivalent Cd(1), and one Ga(1) atom to form SeCd3Ga tetrahedra that share corners with two equivalent Se(2)Cd3Ga tetrahedra, corners with three equivalent Se(4)CdGa2Ag tetrahedra, corners with three equivalent Se(3)CdGaAg2 tetrahedra, and corners with four equivalent Se(1)Cd3Ag 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 SeCdGaAg2 tetrahedra that share corners with two equivalent Se(3)CdGaAg2 tetrahedra, corners with three equivalent Se(1)Cd3Ag tetrahedra, corners with three equivalent Se(2)Cd3Ga tetrahedra, and corners with four equivalent Se(4)CdGa2Ag tetrahedra. In the fourth Se site, Se(4) is bonded to one Ag(1), one Cd(2), and two equivalent Ga(1) atoms to form SeCdGa2Ag tetrahedra that share corners with two equivalent Se(4)CdGa2Ag tetrahedra, corners with three equivalent Se(1)Cd3Ag tetrahedra, corners with three equivalent Se(2)Cd3Ga tetrahedra, and corners with four equivalent Se(3)CdGaAg2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd2GaAgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.143
_cell_length_b   8.143
_cell_length_c   7.510
_cell_angle_alpha   64.282
_cell_angle_beta   64.282
_cell_angle_gamma   30.237
_symmetry_Int_Tables_number   1
_cell_volume   224.029
_cell_formula_units_Z   1
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  0.001  0.001  0.652  1.0
  Cd  Cd1  1  0.497  0.497  0.174  1.0
  Ga  Ga2  1  0.751  0.751  0.596  1.0
  Ag  Ag3  1  0.253  0.253  0.075  1.0
  Se  Se4  1  0.065  0.065  0.266  1.0
  Se  Se5  1  0.573  0.573  0.765  1.0
  Se  Se6  1  0.811  0.811  0.841  1.0
  Se  Se7  1  0.301  0.301  0.379  1.0
[/CIF]
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The material described by Cd2AgGaSe4 is Stannite-like structured and crystallizes in the monoclinic Cm space group. Ag(1) is bonded to one Se(1), one Se(4), and two equivalent Se(3) atoms to form AgSe4 tetrahedra that share corners with two equivalent Ag(1)Se4 tetrahedra, corners with three equivalent Cd(1)Se4 tetrahedra, corners with three equivalent Cd(2)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. There are two inequivalent Cd sites. In the first Cd site, 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 two equivalent Cd(1)Se4 tetrahedra, corners with three equivalent Ag(1)Se4 tetrahedra, corners with three equivalent Ga(1)Se4 tetrahedra, and corners with four equivalent Cd(2)Se4 tetrahedra. In the second Cd site, Cd(2) is bonded to one Se(2), one Se(4), and two equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with two equivalent Cd(2)Se4 tetrahedra, corners with three equivalent Ag(1)Se4 tetrahedra, corners with three equivalent Ga(1)Se4 tetrahedra, and corners with four equivalent Cd(1)Se4 tetrahedra. Ga(1) is bonded to one Se(2), one Se(3), and two equivalent Se(4) atoms to form GaSe4 tetrahedra that share corners with two equivalent Ga(1)Se4 tetrahedra, corners with three equivalent Cd(1)Se4 tetrahedra, corners with three equivalent Cd(2)Se4 tetrahedra, and corners with four equivalent Ag(1)Se4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one Ag(1), one Cd(1), and two equivalent Cd(2) atoms to form SeCd3Ag tetrahedra that share corners with two equivalent Se(1)Cd3Ag tetrahedra, corners with three equivalent Se(4)CdGa2Ag tetrahedra, corners with three equivalent Se(3)CdGaAg2 tetrahedra, and corners with four equivalent Se(2)Cd3Ga tetrahedra. In the second Se site, Se(2) is bonded to one Cd(2), two equivalent Cd(1), and one Ga(1) atom to form SeCd3Ga tetrahedra that share corners with two equivalent Se(2)Cd3Ga tetrahedra, corners with three equivalent Se(4)CdGa2Ag tetrahedra, corners with three equivalent Se(3)CdGaAg2 tetrahedra, and corners with four equivalent Se(1)Cd3Ag 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 SeCdGaAg2 tetrahedra that share corners with two equivalent Se(3)CdGaAg2 tetrahedra, corners with three equivalent Se(1)Cd3Ag tetrahedra, corners with three equivalent Se(2)Cd3Ga tetrahedra, and corners with four equivalent Se(4)CdGa2Ag tetrahedra. In the fourth Se site, Se(4) is bonded to one Ag(1), one Cd(2), and two equivalent Ga(1) atoms to form SeCdGa2Ag tetrahedra that share corners with two equivalent Se(4)CdGa2Ag tetrahedra, corners with three equivalent Se(1)Cd3Ag tetrahedra, corners with three equivalent Se(2)Cd3Ga tetrahedra, and corners with four equivalent Se(3)CdGaAg2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd2GaAgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.143
_cell_length_b   8.143
_cell_length_c   7.510
_cell_angle_alpha   64.282
_cell_angle_beta   64.282
_cell_angle_gamma   30.237
_symmetry_Int_Tables_number   1
_cell_volume   224.029
_cell_formula_units_Z   1
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  0.001  0.001  0.652  1.0
  Cd  Cd1  1  0.497  0.497  0.174  1.0
  Ga  Ga2  1  0.751  0.751  0.596  1.0
  Ag  Ag3  1  0.253  0.253  0.075  1.0
  Se  Se4  1  0.065  0.065  0.266  1.0
  Se  Se5  1  0.573  0.573  0.765  1.0
  Se  Se6  1  0.811  0.811  0.841  1.0
  Se  Se7  1  0.301  0.301  0.379  1.0
[/CIF]
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