The material described by DyAgSe2 crystallizes in the tetragonal I4_1md space group. Dy(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form DySe6 octahedra that share corners with four equivalent Dy(1)Se6 octahedra, corners with three equivalent Ag(1)Se5 trigonal bipyramids, edges with four equivalent Dy(1)Se6 octahedra, and edges with six equivalent Ag(1)Se5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 8-10°. Ag(1) is bonded to two equivalent Se(1) and three equivalent Se(2) atoms to form AgSe5 trigonal bipyramids that share corners with three equivalent Dy(1)Se6 octahedra, corners with eight equivalent Ag(1)Se5 trigonal bipyramids, and edges with six equivalent Dy(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 0-75°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Dy(1) and two equivalent Ag(1) atoms to form SeDy3Ag2 trigonal bipyramids that share corners with three equivalent Se(2)Dy3Ag3 octahedra, corners with eight equivalent Se(1)Dy3Ag2 trigonal bipyramids, and edges with six equivalent Se(2)Dy3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-75°. In the second Se site, Se(2) is bonded to three equivalent Dy(1) and three equivalent Ag(1) atoms to form SeDy3Ag3 octahedra that share corners with four equivalent Se(2)Dy3Ag3 octahedra, corners with three equivalent Se(1)Dy3Ag2 trigonal bipyramids, edges with four equivalent Se(2)Dy3Ag3 octahedra, and edges with six equivalent Se(1)Dy3Ag2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 8-12°. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.627
_cell_length_b   5.627
_cell_length_c   7.336
_cell_angle_alpha   112.554
_cell_angle_beta   112.554
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.155
_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
  Dy  Dy0  1  0.251  0.751  0.502  1.0
  Dy  Dy1  1  0.001  0.001  0.002  1.0
  Ag  Ag2  1  0.790  0.290  0.581  1.0
  Ag  Ag3  1  0.540  0.540  0.081  1.0
  Se  Se4  1  0.481  0.981  0.962  1.0
  Se  Se5  1  0.231  0.231  0.462  1.0
  Se  Se6  1  0.017  0.517  0.035  1.0
  Se  Se7  1  0.767  0.767  0.535  1.0
[/CIF]
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The material described by DyAgSe2 crystallizes in the tetragonal I4_1md space group. Dy(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form DySe6 octahedra that share corners with four equivalent Dy(1)Se6 octahedra, corners with three equivalent Ag(1)Se5 trigonal bipyramids, edges with four equivalent Dy(1)Se6 octahedra, and edges with six equivalent Ag(1)Se5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 8-10°. Ag(1) is bonded to two equivalent Se(1) and three equivalent Se(2) atoms to form AgSe5 trigonal bipyramids that share corners with three equivalent Dy(1)Se6 octahedra, corners with eight equivalent Ag(1)Se5 trigonal bipyramids, and edges with six equivalent Dy(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 0-75°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Dy(1) and two equivalent Ag(1) atoms to form SeDy3Ag2 trigonal bipyramids that share corners with three equivalent Se(2)Dy3Ag3 octahedra, corners with eight equivalent Se(1)Dy3Ag2 trigonal bipyramids, and edges with six equivalent Se(2)Dy3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-75°. In the second Se site, Se(2) is bonded to three equivalent Dy(1) and three equivalent Ag(1) atoms to form SeDy3Ag3 octahedra that share corners with four equivalent Se(2)Dy3Ag3 octahedra, corners with three equivalent Se(1)Dy3Ag2 trigonal bipyramids, edges with four equivalent Se(2)Dy3Ag3 octahedra, and edges with six equivalent Se(1)Dy3Ag2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 8-12°. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.627
_cell_length_b   5.627
_cell_length_c   7.336
_cell_angle_alpha   112.554
_cell_angle_beta   112.554
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.155
_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
  Dy  Dy0  1  0.251  0.751  0.502  1.0
  Dy  Dy1  1  0.001  0.001  0.002  1.0
  Ag  Ag2  1  0.790  0.290  0.581  1.0
  Ag  Ag3  1  0.540  0.540  0.081  1.0
  Se  Se4  1  0.481  0.981  0.962  1.0
  Se  Se5  1  0.231  0.231  0.462  1.0
  Se  Se6  1  0.017  0.517  0.035  1.0
  Se  Se7  1  0.767  0.767  0.535  1.0
[/CIF]
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