The compound described by Sr(DySe2)2 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to one Se(2), two equivalent Se(4), and three equivalent Se(1) atoms to form a mixture of edge and corner-sharing DySe6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the second Dy site, Dy(2) is bonded to one Se(4), two equivalent Se(2), and three equivalent Se(3) atoms to form a mixture of edge and corner-sharing DySe6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Sr(1) and three equivalent Dy(1) atoms to form a mixture of distorted edge and corner-sharing SeSr2Dy3 trigonal bipyramids. In the second Se site, Se(2) is bonded to two equivalent Sr(1), one Dy(1), and two equivalent Dy(2) atoms to form a mixture of distorted edge and corner-sharing SeSr2Dy3 trigonal bipyramids. In the third Se site, Se(3) is bonded to two equivalent Sr(1) and three equivalent Dy(2) atoms to form a mixture of edge and corner-sharing SeSr2Dy3 square pyramids. In the fourth Se site, Se(4) is bonded to two equivalent Sr(1), one Dy(2), and two equivalent Dy(1) atoms to form a mixture of distorted edge and corner-sharing SeSr2Dy3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Sr(DySe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.140
_cell_length_b   12.589
_cell_length_c   14.944
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   778.835
_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
  Sr  Sr0  1  0.250  0.758  0.664  1.0
  Sr  Sr1  1  0.750  0.742  0.164  1.0
  Sr  Sr2  1  0.250  0.258  0.836  1.0
  Sr  Sr3  1  0.750  0.242  0.336  1.0
  Dy  Dy4  1  0.250  0.435  0.611  1.0
  Dy  Dy5  1  0.750  0.065  0.111  1.0
  Dy  Dy6  1  0.250  0.935  0.889  1.0
  Dy  Dy7  1  0.750  0.565  0.389  1.0
  Dy  Dy8  1  0.250  0.418  0.099  1.0
  Dy  Dy9  1  0.750  0.082  0.599  1.0
  Dy  Dy10  1  0.250  0.918  0.401  1.0
  Dy  Dy11  1  0.750  0.582  0.901  1.0
  Se  Se12  1  0.250  0.411  0.422  1.0
  Se  Se13  1  0.750  0.089  0.922  1.0
  Se  Se14  1  0.250  0.911  0.078  1.0
  Se  Se15  1  0.750  0.589  0.578  1.0
  Se  Se16  1  0.250  0.024  0.715  1.0
  Se  Se17  1  0.750  0.476  0.215  1.0
  Se  Se18  1  0.250  0.524  0.785  1.0
  Se  Se19  1  0.750  0.976  0.285  1.0
  Se  Se20  1  0.250  0.130  0.471  1.0
  Se  Se21  1  0.750  0.370  0.971  1.0
  Se  Se22  1  0.250  0.630  0.029  1.0
  Se  Se23  1  0.750  0.870  0.529  1.0
  Se  Se24  1  0.250  0.207  0.172  1.0
  Se  Se25  1  0.750  0.293  0.672  1.0
  Se  Se26  1  0.250  0.707  0.328  1.0
  Se  Se27  1  0.750  0.793  0.828  1.0
[/CIF]
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The compound described by Sr(DySe2)2 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to one Se(2), two equivalent Se(4), and three equivalent Se(1) atoms to form a mixture of edge and corner-sharing DySe6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the second Dy site, Dy(2) is bonded to one Se(4), two equivalent Se(2), and three equivalent Se(3) atoms to form a mixture of edge and corner-sharing DySe6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Sr(1) and three equivalent Dy(1) atoms to form a mixture of distorted edge and corner-sharing SeSr2Dy3 trigonal bipyramids. In the second Se site, Se(2) is bonded to two equivalent Sr(1), one Dy(1), and two equivalent Dy(2) atoms to form a mixture of distorted edge and corner-sharing SeSr2Dy3 trigonal bipyramids. In the third Se site, Se(3) is bonded to two equivalent Sr(1) and three equivalent Dy(2) atoms to form a mixture of edge and corner-sharing SeSr2Dy3 square pyramids. In the fourth Se site, Se(4) is bonded to two equivalent Sr(1), one Dy(2), and two equivalent Dy(1) atoms to form a mixture of distorted edge and corner-sharing SeSr2Dy3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Sr(DySe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.140
_cell_length_b   12.589
_cell_length_c   14.944
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   778.835
_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
  Sr  Sr0  1  0.250  0.758  0.664  1.0
  Sr  Sr1  1  0.750  0.742  0.164  1.0
  Sr  Sr2  1  0.250  0.258  0.836  1.0
  Sr  Sr3  1  0.750  0.242  0.336  1.0
  Dy  Dy4  1  0.250  0.435  0.611  1.0
  Dy  Dy5  1  0.750  0.065  0.111  1.0
  Dy  Dy6  1  0.250  0.935  0.889  1.0
  Dy  Dy7  1  0.750  0.565  0.389  1.0
  Dy  Dy8  1  0.250  0.418  0.099  1.0
  Dy  Dy9  1  0.750  0.082  0.599  1.0
  Dy  Dy10  1  0.250  0.918  0.401  1.0
  Dy  Dy11  1  0.750  0.582  0.901  1.0
  Se  Se12  1  0.250  0.411  0.422  1.0
  Se  Se13  1  0.750  0.089  0.922  1.0
  Se  Se14  1  0.250  0.911  0.078  1.0
  Se  Se15  1  0.750  0.589  0.578  1.0
  Se  Se16  1  0.250  0.024  0.715  1.0
  Se  Se17  1  0.750  0.476  0.215  1.0
  Se  Se18  1  0.250  0.524  0.785  1.0
  Se  Se19  1  0.750  0.976  0.285  1.0
  Se  Se20  1  0.250  0.130  0.471  1.0
  Se  Se21  1  0.750  0.370  0.971  1.0
  Se  Se22  1  0.250  0.630  0.029  1.0
  Se  Se23  1  0.750  0.870  0.529  1.0
  Se  Se24  1  0.250  0.207  0.172  1.0
  Se  Se25  1  0.750  0.293  0.672  1.0
  Se  Se26  1  0.250  0.707  0.328  1.0
  Se  Se27  1  0.750  0.793  0.828  1.0
[/CIF]
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