The material structure described by YAgSe2 crystallizes in the tetragonal I4_1/amd space group. Y(1) is bonded to six Se(1,1,1) atoms to form YSe6 octahedra that share corners with two equivalent Ag(1)Se6 octahedra, corners with four 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 octahedral tilt angles range from 0-8°. Ag(1) is bonded to six Se(1,1,1) atoms to form AgSe6 octahedra that share corners with two equivalent Y(1)Se6 octahedra, corners with four 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 octahedral tilt angles range from 0-8°. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Y(1) and three equivalent Ag(1) atoms to form a mixture of distorted corner and edge-sharing SeY3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Se site, Se(1) is bonded to three equivalent Y(1) and three equivalent Ag(1) atoms to form a mixture of distorted corner and edge-sharing SeY3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third Se site, Se(1) is bonded to three equivalent Y(1) and three equivalent Ag(1) atoms to form a mixture of distorted corner and edge-sharing SeY3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the CIF card [CIF]
data_YAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.358
_cell_length_b   7.358
_cell_length_c   7.358
_cell_angle_alpha   134.303
_cell_angle_beta   134.303
_cell_angle_gamma   66.615
_symmetry_Int_Tables_number   1
_cell_volume   200.816
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Y  Y1  1  0.750  0.250  0.500  1.0
  Ag  Ag2  1  0.500  0.500  0.000  1.0
  Ag  Ag3  1  0.250  0.750  0.500  1.0
  Se  Se4  1  0.766  0.766  0.000  1.0
  Se  Se5  1  0.234  0.234  0.000  1.0
  Se  Se6  1  0.984  0.484  0.500  1.0
  Se  Se7  1  0.516  0.016  0.500  1.0
[/CIF]
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The material structure described by YAgSe2 crystallizes in the tetragonal I4_1/amd space group. Y(1) is bonded to six Se(1,1,1) atoms to form YSe6 octahedra that share corners with two equivalent Ag(1)Se6 octahedra, corners with four 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 octahedral tilt angles range from 0-8°. Ag(1) is bonded to six Se(1,1,1) atoms to form AgSe6 octahedra that share corners with two equivalent Y(1)Se6 octahedra, corners with four 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 octahedral tilt angles range from 0-8°. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Y(1) and three equivalent Ag(1) atoms to form a mixture of distorted corner and edge-sharing SeY3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Se site, Se(1) is bonded to three equivalent Y(1) and three equivalent Ag(1) atoms to form a mixture of distorted corner and edge-sharing SeY3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third Se site, Se(1) is bonded to three equivalent Y(1) and three equivalent Ag(1) atoms to form a mixture of distorted corner and edge-sharing SeY3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the CIF card [CIF]
data_YAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.358
_cell_length_b   7.358
_cell_length_c   7.358
_cell_angle_alpha   134.303
_cell_angle_beta   134.303
_cell_angle_gamma   66.615
_symmetry_Int_Tables_number   1
_cell_volume   200.816
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Y  Y1  1  0.750  0.250  0.500  1.0
  Ag  Ag2  1  0.500  0.500  0.000  1.0
  Ag  Ag3  1  0.250  0.750  0.500  1.0
  Se  Se4  1  0.766  0.766  0.000  1.0
  Se  Se5  1  0.234  0.234  0.000  1.0
  Se  Se6  1  0.984  0.484  0.500  1.0
  Se  Se7  1  0.516  0.016  0.500  1.0
[/CIF]
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