The crystal structure described by YAgSe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Y(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form YSe6 octahedra that share corners with six equivalent Y(1)Se6 octahedra, edges with four equivalent Y(1)Se6 octahedra, and edges with eight equivalent Ag(1)Se6 octahedra. The corner-sharing octahedra are not tilted. Ag(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form AgSe6 octahedra that share corners with six equivalent Ag(1)Se6 octahedra, edges with four equivalent Ag(1)Se6 octahedra, and edges with eight equivalent Y(1)Se6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to four equivalent Y(1) and two equivalent Ag(1) atoms to form SeY4Ag2 octahedra that share corners with six equivalent Se(1)Y4Ag2 octahedra, edges with four equivalent Se(1)Y4Ag2 octahedra, and edges with eight equivalent Se(2)Y2Ag4 octahedra. The corner-sharing octahedra are not tilted. In the second Se site, Se(2) is bonded to two equivalent Y(1) and four equivalent Ag(1) atoms to form SeY2Ag4 octahedra that share corners with six equivalent Se(2)Y2Ag4 octahedra, edges with four equivalent Se(2)Y2Ag4 octahedra, and edges with eight equivalent Se(1)Y4Ag2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_YAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.113
_cell_length_b   4.113
_cell_length_c   5.730
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   96.909
_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
  Y  Y0  1  0.500  0.500  0.500  1.0
  Ag  Ag1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.000  0.000  0.500  1.0
  Se  Se3  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by YAgSe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Y(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form YSe6 octahedra that share corners with six equivalent Y(1)Se6 octahedra, edges with four equivalent Y(1)Se6 octahedra, and edges with eight equivalent Ag(1)Se6 octahedra. The corner-sharing octahedra are not tilted. Ag(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form AgSe6 octahedra that share corners with six equivalent Ag(1)Se6 octahedra, edges with four equivalent Ag(1)Se6 octahedra, and edges with eight equivalent Y(1)Se6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to four equivalent Y(1) and two equivalent Ag(1) atoms to form SeY4Ag2 octahedra that share corners with six equivalent Se(1)Y4Ag2 octahedra, edges with four equivalent Se(1)Y4Ag2 octahedra, and edges with eight equivalent Se(2)Y2Ag4 octahedra. The corner-sharing octahedra are not tilted. In the second Se site, Se(2) is bonded to two equivalent Y(1) and four equivalent Ag(1) atoms to form SeY2Ag4 octahedra that share corners with six equivalent Se(2)Y2Ag4 octahedra, edges with four equivalent Se(2)Y2Ag4 octahedra, and edges with eight equivalent Se(1)Y4Ag2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_YAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.113
_cell_length_b   4.113
_cell_length_c   5.730
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   96.909
_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
  Y  Y0  1  0.500  0.500  0.500  1.0
  Ag  Ag1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.000  0.000  0.500  1.0
  Se  Se3  1  0.500  0.500  0.000  1.0
[/CIF]
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