The structure described by Ag2GeSe3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Ag(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form AgSe4 tetrahedra that share corners with five equivalent Ge(1)Se4 tetrahedra and corners with seven equivalent Ag(1)Se4 tetrahedra. Ge(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form GeSe4 tetrahedra that share corners with two equivalent Ge(1)Se4 tetrahedra and corners with ten equivalent Ag(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Ag(1) and one Ge(1) atom to form SeAg3Ge tetrahedra that share corners with five equivalent Se(2)Ag2Ge2 tetrahedra and corners with seven equivalent Se(1)Ag3Ge tetrahedra. In the second Se site, Se(2) is bonded to two equivalent Ag(1) and two equivalent Ge(1) atoms to form SeAg2Ge2 tetrahedra that share corners with two equivalent Se(2)Ag2Ge2 tetrahedra and corners with ten equivalent Se(1)Ag3Ge tetrahedra. is represented by the CIF file [CIF]
data_Ag2GeSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.219
_cell_length_b   7.219
_cell_length_c   6.800
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.258
_symmetry_Int_Tables_number   1
_cell_volume   309.161
_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
  Ag  Ag0  1  0.991  0.308  0.990  1.0
  Ag  Ag1  1  0.308  0.991  0.990  1.0
  Ag  Ag2  1  0.009  0.692  0.490  1.0
  Ag  Ag3  1  0.692  0.009  0.490  1.0
  Ge  Ge4  1  0.658  0.658  0.962  1.0
  Ge  Ge5  1  0.342  0.342  0.462  1.0
  Se  Se6  1  0.035  0.352  0.373  1.0
  Se  Se7  1  0.352  0.035  0.373  1.0
  Se  Se8  1  0.965  0.648  0.873  1.0
  Se  Se9  1  0.648  0.965  0.873  1.0
  Se  Se10  1  0.652  0.652  0.329  1.0
  Se  Se11  1  0.348  0.348  0.829  1.0
[/CIF]
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The structure described by Ag2GeSe3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Ag(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form AgSe4 tetrahedra that share corners with five equivalent Ge(1)Se4 tetrahedra and corners with seven equivalent Ag(1)Se4 tetrahedra. Ge(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form GeSe4 tetrahedra that share corners with two equivalent Ge(1)Se4 tetrahedra and corners with ten equivalent Ag(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Ag(1) and one Ge(1) atom to form SeAg3Ge tetrahedra that share corners with five equivalent Se(2)Ag2Ge2 tetrahedra and corners with seven equivalent Se(1)Ag3Ge tetrahedra. In the second Se site, Se(2) is bonded to two equivalent Ag(1) and two equivalent Ge(1) atoms to form SeAg2Ge2 tetrahedra that share corners with two equivalent Se(2)Ag2Ge2 tetrahedra and corners with ten equivalent Se(1)Ag3Ge tetrahedra. is represented by the CIF file [CIF]
data_Ag2GeSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.219
_cell_length_b   7.219
_cell_length_c   6.800
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.258
_symmetry_Int_Tables_number   1
_cell_volume   309.161
_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
  Ag  Ag0  1  0.991  0.308  0.990  1.0
  Ag  Ag1  1  0.308  0.991  0.990  1.0
  Ag  Ag2  1  0.009  0.692  0.490  1.0
  Ag  Ag3  1  0.692  0.009  0.490  1.0
  Ge  Ge4  1  0.658  0.658  0.962  1.0
  Ge  Ge5  1  0.342  0.342  0.462  1.0
  Se  Se6  1  0.035  0.352  0.373  1.0
  Se  Se7  1  0.352  0.035  0.373  1.0
  Se  Se8  1  0.965  0.648  0.873  1.0
  Se  Se9  1  0.648  0.965  0.873  1.0
  Se  Se10  1  0.652  0.652  0.329  1.0
  Se  Se11  1  0.348  0.348  0.829  1.0
[/CIF]
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