The structure described by CaYbInS4 is Spinel-derived structured and crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form CaS6 octahedra that share corners with four equivalent Ca(1)S6 octahedra, corners with four equivalent Yb(1)S6 octahedra, corners with four equivalent In(1)S4 tetrahedra, edges with two equivalent Yb(1)S6 octahedra, and  an edgeedge with one In(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-55°. Yb(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form YbS6 octahedra that share corners with four equivalent Ca(1)S6 octahedra, corners with two equivalent In(1)S4 tetrahedra, edges with two equivalent Ca(1)S6 octahedra, edges with two equivalent Yb(1)S6 octahedra, and edges with two equivalent In(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-55°. In(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form InS4 tetrahedra that share corners with two equivalent Yb(1)S6 octahedra, corners with four equivalent Ca(1)S6 octahedra,  an edgeedge with one Ca(1)S6 octahedra, and edges with two equivalent Yb(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-65°. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Ca(1), two equivalent Yb(1), and one In(1) atom to form distorted corner-sharing SCaYb2In trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Ca(1), two equivalent Yb(1), and one In(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to two equivalent Ca(1), one Yb(1), and one In(1) atom. is represented by the CIF card [CIF]
data_CaYbInS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.738
_cell_length_b   8.047
_cell_length_c   13.839
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   750.394
_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
  Ca  Ca0  1  0.007  0.750  0.268  1.0
  Ca  Ca1  1  0.507  0.250  0.232  1.0
  Ca  Ca2  1  0.993  0.250  0.732  1.0
  Ca  Ca3  1  0.493  0.750  0.768  1.0
  Yb  Yb4  1  0.500  0.000  0.500  1.0
  Yb  Yb5  1  0.000  0.000  0.000  1.0
  Yb  Yb6  1  0.500  0.500  0.500  1.0
  Yb  Yb7  1  0.000  0.500  0.000  1.0
  In  In8  1  0.584  0.750  0.090  1.0
  In  In9  1  0.084  0.250  0.410  1.0
  In  In10  1  0.416  0.250  0.910  1.0
  In  In11  1  0.916  0.750  0.590  1.0
  S  S12  1  0.222  0.750  0.090  1.0
  S  S13  1  0.722  0.250  0.410  1.0
  S  S14  1  0.778  0.250  0.910  1.0
  S  S15  1  0.278  0.750  0.590  1.0
  S  S16  1  0.749  0.750  0.428  1.0
  S  S17  1  0.249  0.250  0.072  1.0
  S  S18  1  0.251  0.250  0.572  1.0
  S  S19  1  0.751  0.750  0.928  1.0
  S  S20  1  0.760  0.988  0.167  1.0
  S  S21  1  0.260  0.012  0.333  1.0
  S  S22  1  0.240  0.488  0.833  1.0
  S  S23  1  0.740  0.512  0.667  1.0
  S  S24  1  0.240  0.012  0.833  1.0
  S  S25  1  0.740  0.988  0.667  1.0
  S  S26  1  0.760  0.512  0.167  1.0
  S  S27  1  0.260  0.488  0.333  1.0
[/CIF]
.
The structure described by CaYbInS4 is Spinel-derived structured and crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form CaS6 octahedra that share corners with four equivalent Ca(1)S6 octahedra, corners with four equivalent Yb(1)S6 octahedra, corners with four equivalent In(1)S4 tetrahedra, edges with two equivalent Yb(1)S6 octahedra, and  an edgeedge with one In(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-55°. Yb(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form YbS6 octahedra that share corners with four equivalent Ca(1)S6 octahedra, corners with two equivalent In(1)S4 tetrahedra, edges with two equivalent Ca(1)S6 octahedra, edges with two equivalent Yb(1)S6 octahedra, and edges with two equivalent In(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-55°. In(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form InS4 tetrahedra that share corners with two equivalent Yb(1)S6 octahedra, corners with four equivalent Ca(1)S6 octahedra,  an edgeedge with one Ca(1)S6 octahedra, and edges with two equivalent Yb(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-65°. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Ca(1), two equivalent Yb(1), and one In(1) atom to form distorted corner-sharing SCaYb2In trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Ca(1), two equivalent Yb(1), and one In(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to two equivalent Ca(1), one Yb(1), and one In(1) atom. is represented by the CIF card [CIF]
data_CaYbInS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.738
_cell_length_b   8.047
_cell_length_c   13.839
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   750.394
_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
  Ca  Ca0  1  0.007  0.750  0.268  1.0
  Ca  Ca1  1  0.507  0.250  0.232  1.0
  Ca  Ca2  1  0.993  0.250  0.732  1.0
  Ca  Ca3  1  0.493  0.750  0.768  1.0
  Yb  Yb4  1  0.500  0.000  0.500  1.0
  Yb  Yb5  1  0.000  0.000  0.000  1.0
  Yb  Yb6  1  0.500  0.500  0.500  1.0
  Yb  Yb7  1  0.000  0.500  0.000  1.0
  In  In8  1  0.584  0.750  0.090  1.0
  In  In9  1  0.084  0.250  0.410  1.0
  In  In10  1  0.416  0.250  0.910  1.0
  In  In11  1  0.916  0.750  0.590  1.0
  S  S12  1  0.222  0.750  0.090  1.0
  S  S13  1  0.722  0.250  0.410  1.0
  S  S14  1  0.778  0.250  0.910  1.0
  S  S15  1  0.278  0.750  0.590  1.0
  S  S16  1  0.749  0.750  0.428  1.0
  S  S17  1  0.249  0.250  0.072  1.0
  S  S18  1  0.251  0.250  0.572  1.0
  S  S19  1  0.751  0.750  0.928  1.0
  S  S20  1  0.760  0.988  0.167  1.0
  S  S21  1  0.260  0.012  0.333  1.0
  S  S22  1  0.240  0.488  0.833  1.0
  S  S23  1  0.740  0.512  0.667  1.0
  S  S24  1  0.240  0.012  0.833  1.0
  S  S25  1  0.740  0.988  0.667  1.0
  S  S26  1  0.760  0.512  0.167  1.0
  S  S27  1  0.260  0.488  0.333  1.0
[/CIF]
.