The crystal structure described by Ca(DyS2)2 crystallizes in the tetragonal I-42d space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Dy(1) is bonded to eight equivalent S(1) atoms to form a mixture of distorted corner, face, and edge-sharing DyS8 hexagonal bipyramids. S(1) is bonded to two equivalent Ca(1) and four equivalent Dy(1) atoms to form a mixture of distorted corner, face, and edge-sharing SCa2Dy4 octahedra. The corner-sharing octahedral tilt angles range from 17-50°. is represented by the CIF file [CIF]
data_Ca(DyS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.253
_cell_length_b   7.253
_cell_length_c   7.253
_cell_angle_alpha   109.507
_cell_angle_beta   109.507
_cell_angle_gamma   109.401
_symmetry_Int_Tables_number   1
_cell_volume   293.760
_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
  Ca  Ca0  1  0.750  0.250  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Dy  Dy2  1  0.375  0.752  0.877  1.0
  Dy  Dy3  1  0.502  0.625  0.377  1.0
  Dy  Dy4  1  0.875  0.498  0.123  1.0
  Dy  Dy5  1  0.248  0.125  0.623  1.0
  S  S6  1  0.987  0.737  0.605  1.0
  S  S7  1  0.132  0.381  0.395  1.0
  S  S8  1  0.618  0.513  0.750  1.0
  S  S9  1  0.487  0.237  0.105  1.0
  S  S10  1  0.131  0.382  0.895  1.0
  S  S11  1  0.263  0.868  0.250  1.0
  S  S12  1  0.619  0.013  0.750  1.0
  S  S13  1  0.763  0.869  0.250  1.0
[/CIF]
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The crystal structure described by Ca(DyS2)2 crystallizes in the tetragonal I-42d space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Dy(1) is bonded to eight equivalent S(1) atoms to form a mixture of distorted corner, face, and edge-sharing DyS8 hexagonal bipyramids. S(1) is bonded to two equivalent Ca(1) and four equivalent Dy(1) atoms to form a mixture of distorted corner, face, and edge-sharing SCa2Dy4 octahedra. The corner-sharing octahedral tilt angles range from 17-50°. is represented by the CIF file [CIF]
data_Ca(DyS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.253
_cell_length_b   7.253
_cell_length_c   7.253
_cell_angle_alpha   109.507
_cell_angle_beta   109.507
_cell_angle_gamma   109.401
_symmetry_Int_Tables_number   1
_cell_volume   293.760
_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
  Ca  Ca0  1  0.750  0.250  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Dy  Dy2  1  0.375  0.752  0.877  1.0
  Dy  Dy3  1  0.502  0.625  0.377  1.0
  Dy  Dy4  1  0.875  0.498  0.123  1.0
  Dy  Dy5  1  0.248  0.125  0.623  1.0
  S  S6  1  0.987  0.737  0.605  1.0
  S  S7  1  0.132  0.381  0.395  1.0
  S  S8  1  0.618  0.513  0.750  1.0
  S  S9  1  0.487  0.237  0.105  1.0
  S  S10  1  0.131  0.382  0.895  1.0
  S  S11  1  0.263  0.868  0.250  1.0
  S  S12  1  0.619  0.013  0.750  1.0
  S  S13  1  0.763  0.869  0.250  1.0
[/CIF]
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