The material structure described by Zn2AgGaSe4 is Stannite-like structured and crystallizes in the monoclinic Pm 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 two equivalent Zn(2)Se4 tetrahedra, corners with four equivalent Zn(1)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one Se(2), one Se(3), and two equivalent Se(4) atoms to form ZnSe4 tetrahedra that share corners with two equivalent Zn(1)Se4 tetrahedra, corners with two equivalent Ga(1)Se4 tetrahedra, corners with four equivalent Ag(1)Se4 tetrahedra, and corners with four equivalent Zn(2)Se4 tetrahedra. In the second Zn site, Zn(2) is bonded to one Se(1), one Se(4), and two equivalent Se(2) atoms to form ZnSe4 tetrahedra that share corners with two equivalent Ag(1)Se4 tetrahedra, corners with two equivalent Zn(2)Se4 tetrahedra, corners with four equivalent Zn(1)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. Ga(1) is bonded to one Se(2), one Se(3), and two equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with two equivalent Zn(1)Se4 tetrahedra, corners with two equivalent Ga(1)Se4 tetrahedra, corners with four equivalent Ag(1)Se4 tetrahedra, and corners with four equivalent Zn(2)Se4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one Ag(1), one Zn(2), and two equivalent Ga(1) atoms to form SeZnGa2Ag tetrahedra that share corners with two equivalent Se(4)Zn3Ag tetrahedra, corners with two equivalent Se(1)ZnGa2Ag tetrahedra, corners with four equivalent Se(2)Zn3Ga tetrahedra, and corners with four equivalent Se(3)ZnGaAg2 tetrahedra. In the second Se site, Se(2) is bonded to one Zn(1), two equivalent Zn(2), and one Ga(1) atom to form SeZn3Ga tetrahedra that share corners with two equivalent Se(2)Zn3Ga tetrahedra, corners with two equivalent Se(3)ZnGaAg2 tetrahedra, corners with four equivalent Se(4)Zn3Ag tetrahedra, and corners with four equivalent Se(1)ZnGa2Ag tetrahedra. In the third Se site, Se(3) is bonded to two equivalent Ag(1), one Zn(1), and one Ga(1) atom to form SeZnGaAg2 tetrahedra that share corners with two equivalent Se(2)Zn3Ga tetrahedra, corners with two equivalent Se(3)ZnGaAg2 tetrahedra, corners with four equivalent Se(4)Zn3Ag tetrahedra, and corners with four equivalent Se(1)ZnGa2Ag tetrahedra. In the fourth Se site, Se(4) is bonded to one Ag(1), one Zn(2), and two equivalent Zn(1) atoms to form SeZn3Ag tetrahedra that share corners with two equivalent Se(4)Zn3Ag tetrahedra, corners with two equivalent Se(1)ZnGa2Ag tetrahedra, corners with four equivalent Se(2)Zn3Ga tetrahedra, and corners with four equivalent Se(3)ZnGaAg2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2GaAgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.085
_cell_length_b   7.199
_cell_length_c   6.785
_cell_angle_alpha   90.160
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   199.521
_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
  Zn  Zn0  1  0.500  0.834  0.515  1.0
  Zn  Zn1  1  0.000  0.673  0.986  1.0
  Ga  Ga2  1  0.500  0.158  0.986  1.0
  Ag  Ag3  1  1.000  0.337  0.504  1.0
  Se  Se4  1  1.000  0.332  0.112  1.0
  Se  Se5  1  0.500  0.836  0.133  1.0
  Se  Se6  1  0.500  0.152  0.635  1.0
  Se  Se7  1  1.000  0.678  0.626  1.0
[/CIF]
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The material structure described by Zn2AgGaSe4 is Stannite-like structured and crystallizes in the monoclinic Pm 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 two equivalent Zn(2)Se4 tetrahedra, corners with four equivalent Zn(1)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one Se(2), one Se(3), and two equivalent Se(4) atoms to form ZnSe4 tetrahedra that share corners with two equivalent Zn(1)Se4 tetrahedra, corners with two equivalent Ga(1)Se4 tetrahedra, corners with four equivalent Ag(1)Se4 tetrahedra, and corners with four equivalent Zn(2)Se4 tetrahedra. In the second Zn site, Zn(2) is bonded to one Se(1), one Se(4), and two equivalent Se(2) atoms to form ZnSe4 tetrahedra that share corners with two equivalent Ag(1)Se4 tetrahedra, corners with two equivalent Zn(2)Se4 tetrahedra, corners with four equivalent Zn(1)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. Ga(1) is bonded to one Se(2), one Se(3), and two equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with two equivalent Zn(1)Se4 tetrahedra, corners with two equivalent Ga(1)Se4 tetrahedra, corners with four equivalent Ag(1)Se4 tetrahedra, and corners with four equivalent Zn(2)Se4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one Ag(1), one Zn(2), and two equivalent Ga(1) atoms to form SeZnGa2Ag tetrahedra that share corners with two equivalent Se(4)Zn3Ag tetrahedra, corners with two equivalent Se(1)ZnGa2Ag tetrahedra, corners with four equivalent Se(2)Zn3Ga tetrahedra, and corners with four equivalent Se(3)ZnGaAg2 tetrahedra. In the second Se site, Se(2) is bonded to one Zn(1), two equivalent Zn(2), and one Ga(1) atom to form SeZn3Ga tetrahedra that share corners with two equivalent Se(2)Zn3Ga tetrahedra, corners with two equivalent Se(3)ZnGaAg2 tetrahedra, corners with four equivalent Se(4)Zn3Ag tetrahedra, and corners with four equivalent Se(1)ZnGa2Ag tetrahedra. In the third Se site, Se(3) is bonded to two equivalent Ag(1), one Zn(1), and one Ga(1) atom to form SeZnGaAg2 tetrahedra that share corners with two equivalent Se(2)Zn3Ga tetrahedra, corners with two equivalent Se(3)ZnGaAg2 tetrahedra, corners with four equivalent Se(4)Zn3Ag tetrahedra, and corners with four equivalent Se(1)ZnGa2Ag tetrahedra. In the fourth Se site, Se(4) is bonded to one Ag(1), one Zn(2), and two equivalent Zn(1) atoms to form SeZn3Ag tetrahedra that share corners with two equivalent Se(4)Zn3Ag tetrahedra, corners with two equivalent Se(1)ZnGa2Ag tetrahedra, corners with four equivalent Se(2)Zn3Ga tetrahedra, and corners with four equivalent Se(3)ZnGaAg2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2GaAgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.085
_cell_length_b   7.199
_cell_length_c   6.785
_cell_angle_alpha   90.160
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   199.521
_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
  Zn  Zn0  1  0.500  0.834  0.515  1.0
  Zn  Zn1  1  0.000  0.673  0.986  1.0
  Ga  Ga2  1  0.500  0.158  0.986  1.0
  Ag  Ag3  1  1.000  0.337  0.504  1.0
  Se  Se4  1  1.000  0.332  0.112  1.0
  Se  Se5  1  0.500  0.836  0.133  1.0
  Se  Se6  1  0.500  0.152  0.635  1.0
  Se  Se7  1  1.000  0.678  0.626  1.0
[/CIF]
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