The structure described by FeAgSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Fe(1) is bonded to four equivalent Se(1) atoms to form FeSe4 tetrahedra that share corners with four equivalent Fe(1)Se4 tetrahedra and corners with eight equivalent Ag(1)Se4 tetrahedra. Ag(1) is bonded to four equivalent Se(1) atoms to form AgSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra and corners with eight equivalent Fe(1)Se4 tetrahedra. Se(1) is bonded to two equivalent Fe(1) and two equivalent Ag(1) atoms to form corner-sharing SeFe2Ag2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.836
_cell_length_b   6.836
_cell_length_c   6.836
_cell_angle_alpha   128.731
_cell_angle_beta   128.731
_cell_angle_gamma   75.444
_symmetry_Int_Tables_number   1
_cell_volume   189.202
_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
  Fe  Fe0  1  0.500  0.500  0.000  1.0
  Fe  Fe1  1  0.250  0.750  0.500  1.0
  Ag  Ag2  1  0.000  0.000  0.000  1.0
  Ag  Ag3  1  0.750  0.250  0.500  1.0
  Se  Se4  1  0.875  0.419  0.044  1.0
  Se  Se5  1  0.375  0.831  0.956  1.0
  Se  Se6  1  0.169  0.125  0.544  1.0
  Se  Se7  1  0.581  0.625  0.456  1.0
[/CIF]
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The structure described by FeAgSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Fe(1) is bonded to four equivalent Se(1) atoms to form FeSe4 tetrahedra that share corners with four equivalent Fe(1)Se4 tetrahedra and corners with eight equivalent Ag(1)Se4 tetrahedra. Ag(1) is bonded to four equivalent Se(1) atoms to form AgSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra and corners with eight equivalent Fe(1)Se4 tetrahedra. Se(1) is bonded to two equivalent Fe(1) and two equivalent Ag(1) atoms to form corner-sharing SeFe2Ag2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.836
_cell_length_b   6.836
_cell_length_c   6.836
_cell_angle_alpha   128.731
_cell_angle_beta   128.731
_cell_angle_gamma   75.444
_symmetry_Int_Tables_number   1
_cell_volume   189.202
_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
  Fe  Fe0  1  0.500  0.500  0.000  1.0
  Fe  Fe1  1  0.250  0.750  0.500  1.0
  Ag  Ag2  1  0.000  0.000  0.000  1.0
  Ag  Ag3  1  0.750  0.250  0.500  1.0
  Se  Se4  1  0.875  0.419  0.044  1.0
  Se  Se5  1  0.375  0.831  0.956  1.0
  Se  Se6  1  0.169  0.125  0.544  1.0
  Se  Se7  1  0.581  0.625  0.456  1.0
[/CIF]
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