The material structure described by DyAgSe2 crystallizes in the orthorhombic P2_12_12_1 space group. Dy(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form a mixture of edge and corner-sharing DySe6 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. Ag(1) is bonded in a 4-coordinate geometry to two equivalent Se(1) and two equivalent Se(2) atoms. 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 a mixture of distorted edge and corner-sharing SeDy3Ag2 trigonal bipyramids. In the second Se site, Se(2) is bonded to three equivalent Dy(1) and two equivalent Ag(1) atoms to form a mixture of distorted edge and corner-sharing SeDy3Ag2 trigonal bipyramids. is represented by the CIF file [CIF]
data_DyAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.797
_cell_length_b   13.762
_cell_length_c   4.235
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   396.080
_cell_formula_units_Z   4
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  0.707  0.627  0.273  1.0
  Dy  Dy1  1  0.793  0.373  0.773  1.0
  Dy  Dy2  1  0.207  0.873  0.727  1.0
  Dy  Dy3  1  0.293  0.127  0.227  1.0
  Ag  Ag4  1  0.706  0.874  0.503  1.0
  Ag  Ag5  1  0.794  0.126  0.003  1.0
  Ag  Ag6  1  0.206  0.626  0.497  1.0
  Ag  Ag7  1  0.294  0.374  0.997  1.0
  Se  Se8  1  0.911  0.726  0.771  1.0
  Se  Se9  1  0.589  0.274  0.271  1.0
  Se  Se10  1  0.411  0.774  0.229  1.0
  Se  Se11  1  0.089  0.226  0.729  1.0
  Se  Se12  1  0.509  0.526  0.767  1.0
  Se  Se13  1  0.991  0.474  0.267  1.0
  Se  Se14  1  0.009  0.974  0.233  1.0
  Se  Se15  1  0.491  0.026  0.733  1.0
[/CIF]
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The material structure described by DyAgSe2 crystallizes in the orthorhombic P2_12_12_1 space group. Dy(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form a mixture of edge and corner-sharing DySe6 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. Ag(1) is bonded in a 4-coordinate geometry to two equivalent Se(1) and two equivalent Se(2) atoms. 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 a mixture of distorted edge and corner-sharing SeDy3Ag2 trigonal bipyramids. In the second Se site, Se(2) is bonded to three equivalent Dy(1) and two equivalent Ag(1) atoms to form a mixture of distorted edge and corner-sharing SeDy3Ag2 trigonal bipyramids. is represented by the CIF file [CIF]
data_DyAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.797
_cell_length_b   13.762
_cell_length_c   4.235
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   396.080
_cell_formula_units_Z   4
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  0.707  0.627  0.273  1.0
  Dy  Dy1  1  0.793  0.373  0.773  1.0
  Dy  Dy2  1  0.207  0.873  0.727  1.0
  Dy  Dy3  1  0.293  0.127  0.227  1.0
  Ag  Ag4  1  0.706  0.874  0.503  1.0
  Ag  Ag5  1  0.794  0.126  0.003  1.0
  Ag  Ag6  1  0.206  0.626  0.497  1.0
  Ag  Ag7  1  0.294  0.374  0.997  1.0
  Se  Se8  1  0.911  0.726  0.771  1.0
  Se  Se9  1  0.589  0.274  0.271  1.0
  Se  Se10  1  0.411  0.774  0.229  1.0
  Se  Se11  1  0.089  0.226  0.729  1.0
  Se  Se12  1  0.509  0.526  0.767  1.0
  Se  Se13  1  0.991  0.474  0.267  1.0
  Se  Se14  1  0.009  0.974  0.233  1.0
  Se  Se15  1  0.491  0.026  0.733  1.0
[/CIF]
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