The structure described by CaYb2S4 crystallizes in the tetragonal I-42d space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Yb(1) is bonded to eight equivalent S(1) atoms to form a mixture of distorted edge, face, and corner-sharing YbS8 hexagonal bipyramids. S(1) is bonded in a 6-coordinate geometry to two equivalent Ca(1) and four equivalent Yb(1) atoms. is represented by the CIF file [CIF]
data_Ca(YbS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.320
_cell_length_b   7.320
_cell_length_c   7.320
_cell_angle_alpha   111.345
_cell_angle_beta   111.345
_cell_angle_gamma   105.785
_symmetry_Int_Tables_number   1
_cell_volume   301.041
_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
  Yb  Yb2  1  0.253  0.625  0.128  1.0
  Yb  Yb3  1  0.375  0.503  0.628  1.0
  Yb  Yb4  1  0.497  0.125  0.872  1.0
  Yb  Yb5  1  0.875  0.747  0.372  1.0
  S  S6  1  0.264  0.038  0.418  1.0
  S  S7  1  0.486  0.404  0.273  1.0
  S  S8  1  0.788  0.514  0.918  1.0
  S  S9  1  0.596  0.869  0.082  1.0
  S  S10  1  0.619  0.846  0.582  1.0
  S  S11  1  0.154  0.736  0.773  1.0
  S  S12  1  0.962  0.381  0.227  1.0
  S  S13  1  0.131  0.212  0.727  1.0
[/CIF]
.
The structure described by CaYb2S4 crystallizes in the tetragonal I-42d space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Yb(1) is bonded to eight equivalent S(1) atoms to form a mixture of distorted edge, face, and corner-sharing YbS8 hexagonal bipyramids. S(1) is bonded in a 6-coordinate geometry to two equivalent Ca(1) and four equivalent Yb(1) atoms. is represented by the CIF file [CIF]
data_Ca(YbS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.320
_cell_length_b   7.320
_cell_length_c   7.320
_cell_angle_alpha   111.345
_cell_angle_beta   111.345
_cell_angle_gamma   105.785
_symmetry_Int_Tables_number   1
_cell_volume   301.041
_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
  Yb  Yb2  1  0.253  0.625  0.128  1.0
  Yb  Yb3  1  0.375  0.503  0.628  1.0
  Yb  Yb4  1  0.497  0.125  0.872  1.0
  Yb  Yb5  1  0.875  0.747  0.372  1.0
  S  S6  1  0.264  0.038  0.418  1.0
  S  S7  1  0.486  0.404  0.273  1.0
  S  S8  1  0.788  0.514  0.918  1.0
  S  S9  1  0.596  0.869  0.082  1.0
  S  S10  1  0.619  0.846  0.582  1.0
  S  S11  1  0.154  0.736  0.773  1.0
  S  S12  1  0.962  0.381  0.227  1.0
  S  S13  1  0.131  0.212  0.727  1.0
[/CIF]
.