The compound described by KInS2 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(5), and two equivalent S(4) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(5), and two equivalent S(4) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to one S(1), one S(3), one S(4), and one S(5) atom to form corner-sharing InS4 tetrahedra. In the second In site, In(2) is bonded to one S(2), one S(3), one S(4), and one S(5) atom to form corner-sharing InS4 tetrahedra. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), and two equivalent In(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), and two equivalent In(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one K(1), one K(2), one In(1), and one In(2) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), one In(1), and one In(2) atom. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one K(1), one K(2), one In(1), and one In(2) atom. is represented by the CIF card [CIF]
data_KInS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.838
_cell_length_b   7.838
_cell_length_c   15.091
_cell_angle_alpha   82.512
_cell_angle_beta   82.512
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   911.275
_cell_formula_units_Z   8
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
  K  K0  1  0.154  0.778  0.883  1.0
  K  K1  1  0.222  0.846  0.617  1.0
  K  K2  1  0.846  0.222  0.117  1.0
  K  K3  1  0.778  0.154  0.383  1.0
  K  K4  1  0.221  0.345  0.618  1.0
  K  K5  1  0.655  0.779  0.882  1.0
  K  K6  1  0.779  0.655  0.382  1.0
  K  K7  1  0.345  0.221  0.118  1.0
  In  In8  1  0.912  0.289  0.845  1.0
  In  In9  1  0.711  0.088  0.655  1.0
  In  In10  1  0.088  0.711  0.155  1.0
  In  In11  1  0.289  0.912  0.345  1.0
  In  In12  1  0.711  0.585  0.655  1.0
  In  In13  1  0.415  0.289  0.845  1.0
  In  In14  1  0.289  0.415  0.345  1.0
  In  In15  1  0.585  0.711  0.155  1.0
  S  S16  1  0.947  0.053  0.750  1.0
  S  S17  1  0.053  0.947  0.250  1.0
  S  S18  1  0.428  0.572  0.750  1.0
  S  S19  1  0.572  0.428  0.250  1.0
  S  S20  1  0.138  0.265  0.945  1.0
  S  S21  1  0.735  0.862  0.555  1.0
  S  S22  1  0.862  0.735  0.055  1.0
  S  S23  1  0.265  0.138  0.445  1.0
  S  S24  1  0.947  0.572  0.749  1.0
  S  S25  1  0.428  0.053  0.751  1.0
  S  S26  1  0.053  0.428  0.251  1.0
  S  S27  1  0.572  0.947  0.249  1.0
  S  S28  1  0.736  0.362  0.554  1.0
  S  S29  1  0.638  0.264  0.946  1.0
  S  S30  1  0.264  0.638  0.446  1.0
  S  S31  1  0.362  0.736  0.054  1.0
[/CIF]
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The compound described by KInS2 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(5), and two equivalent S(4) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(5), and two equivalent S(4) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to one S(1), one S(3), one S(4), and one S(5) atom to form corner-sharing InS4 tetrahedra. In the second In site, In(2) is bonded to one S(2), one S(3), one S(4), and one S(5) atom to form corner-sharing InS4 tetrahedra. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), and two equivalent In(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), and two equivalent In(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one K(1), one K(2), one In(1), and one In(2) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), one In(1), and one In(2) atom. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one K(1), one K(2), one In(1), and one In(2) atom. is represented by the CIF card [CIF]
data_KInS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.838
_cell_length_b   7.838
_cell_length_c   15.091
_cell_angle_alpha   82.512
_cell_angle_beta   82.512
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   911.275
_cell_formula_units_Z   8
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
  K  K0  1  0.154  0.778  0.883  1.0
  K  K1  1  0.222  0.846  0.617  1.0
  K  K2  1  0.846  0.222  0.117  1.0
  K  K3  1  0.778  0.154  0.383  1.0
  K  K4  1  0.221  0.345  0.618  1.0
  K  K5  1  0.655  0.779  0.882  1.0
  K  K6  1  0.779  0.655  0.382  1.0
  K  K7  1  0.345  0.221  0.118  1.0
  In  In8  1  0.912  0.289  0.845  1.0
  In  In9  1  0.711  0.088  0.655  1.0
  In  In10  1  0.088  0.711  0.155  1.0
  In  In11  1  0.289  0.912  0.345  1.0
  In  In12  1  0.711  0.585  0.655  1.0
  In  In13  1  0.415  0.289  0.845  1.0
  In  In14  1  0.289  0.415  0.345  1.0
  In  In15  1  0.585  0.711  0.155  1.0
  S  S16  1  0.947  0.053  0.750  1.0
  S  S17  1  0.053  0.947  0.250  1.0
  S  S18  1  0.428  0.572  0.750  1.0
  S  S19  1  0.572  0.428  0.250  1.0
  S  S20  1  0.138  0.265  0.945  1.0
  S  S21  1  0.735  0.862  0.555  1.0
  S  S22  1  0.862  0.735  0.055  1.0
  S  S23  1  0.265  0.138  0.445  1.0
  S  S24  1  0.947  0.572  0.749  1.0
  S  S25  1  0.428  0.053  0.751  1.0
  S  S26  1  0.053  0.428  0.251  1.0
  S  S27  1  0.572  0.947  0.249  1.0
  S  S28  1  0.736  0.362  0.554  1.0
  S  S29  1  0.638  0.264  0.946  1.0
  S  S30  1  0.264  0.638  0.446  1.0
  S  S31  1  0.362  0.736  0.054  1.0
[/CIF]
.