The structure described by KInSe2 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 Se(2), one Se(3), one Se(4), one Se(5), and two equivalent Se(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Se(2), one Se(3), one Se(4), one Se(5), and two equivalent Se(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form corner-sharing InSe4 tetrahedra. In the second In site, In(2) is bonded to one Se(1), one Se(2), one Se(4), and one Se(5) atom to form corner-sharing InSe4 tetrahedra. There are five inequivalent Se sites. In the first Se site, Se(1) 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 second Se site, Se(2) 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 third Se site, Se(3) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), and two equivalent In(1) atoms. In the fourth Se site, Se(4) 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 fifth Se site, Se(5) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), and two equivalent In(2) atoms. is represented by the CIF card [CIF]
data_KInSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.168
_cell_length_b   8.168
_cell_length_c   15.741
_cell_angle_alpha   82.549
_cell_angle_beta   82.549
_cell_angle_gamma   90.011
_symmetry_Int_Tables_number   1
_cell_volume   1032.313
_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  0.780  0.886  1.0
  K  K1  1  0.220  0.846  0.614  1.0
  K  K2  1  0.846  0.220  0.114  1.0
  K  K3  1  0.780  0.154  0.386  1.0
  K  K4  1  0.221  0.344  0.620  1.0
  K  K5  1  0.656  0.779  0.880  1.0
  K  K6  1  0.779  0.656  0.380  1.0
  K  K7  1  0.344  0.221  0.120  1.0
  In  In8  1  0.913  0.289  0.844  1.0
  In  In9  1  0.711  0.087  0.656  1.0
  In  In10  1  0.087  0.711  0.156  1.0
  In  In11  1  0.289  0.913  0.344  1.0
  In  In12  1  0.711  0.584  0.656  1.0
  In  In13  1  0.416  0.289  0.844  1.0
  In  In14  1  0.289  0.416  0.344  1.0
  In  In15  1  0.584  0.711  0.156  1.0
  Se  Se16  1  0.951  0.575  0.750  1.0
  Se  Se17  1  0.425  0.049  0.750  1.0
  Se  Se18  1  0.049  0.425  0.250  1.0
  Se  Se19  1  0.575  0.951  0.250  1.0
  Se  Se20  1  0.139  0.262  0.946  1.0
  Se  Se21  1  0.738  0.861  0.554  1.0
  Se  Se22  1  0.861  0.738  0.054  1.0
  Se  Se23  1  0.262  0.139  0.446  1.0
  Se  Se24  1  0.950  0.050  0.750  1.0
  Se  Se25  1  0.050  0.950  0.250  1.0
  Se  Se26  1  0.638  0.263  0.947  1.0
  Se  Se27  1  0.737  0.362  0.553  1.0
  Se  Se28  1  0.362  0.737  0.053  1.0
  Se  Se29  1  0.263  0.638  0.447  1.0
  Se  Se30  1  0.425  0.575  0.750  1.0
  Se  Se31  1  0.575  0.425  0.250  1.0
[/CIF]
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The structure described by KInSe2 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 Se(2), one Se(3), one Se(4), one Se(5), and two equivalent Se(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Se(2), one Se(3), one Se(4), one Se(5), and two equivalent Se(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form corner-sharing InSe4 tetrahedra. In the second In site, In(2) is bonded to one Se(1), one Se(2), one Se(4), and one Se(5) atom to form corner-sharing InSe4 tetrahedra. There are five inequivalent Se sites. In the first Se site, Se(1) 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 second Se site, Se(2) 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 third Se site, Se(3) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), and two equivalent In(1) atoms. In the fourth Se site, Se(4) 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 fifth Se site, Se(5) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), and two equivalent In(2) atoms. is represented by the CIF card [CIF]
data_KInSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.168
_cell_length_b   8.168
_cell_length_c   15.741
_cell_angle_alpha   82.549
_cell_angle_beta   82.549
_cell_angle_gamma   90.011
_symmetry_Int_Tables_number   1
_cell_volume   1032.313
_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  0.780  0.886  1.0
  K  K1  1  0.220  0.846  0.614  1.0
  K  K2  1  0.846  0.220  0.114  1.0
  K  K3  1  0.780  0.154  0.386  1.0
  K  K4  1  0.221  0.344  0.620  1.0
  K  K5  1  0.656  0.779  0.880  1.0
  K  K6  1  0.779  0.656  0.380  1.0
  K  K7  1  0.344  0.221  0.120  1.0
  In  In8  1  0.913  0.289  0.844  1.0
  In  In9  1  0.711  0.087  0.656  1.0
  In  In10  1  0.087  0.711  0.156  1.0
  In  In11  1  0.289  0.913  0.344  1.0
  In  In12  1  0.711  0.584  0.656  1.0
  In  In13  1  0.416  0.289  0.844  1.0
  In  In14  1  0.289  0.416  0.344  1.0
  In  In15  1  0.584  0.711  0.156  1.0
  Se  Se16  1  0.951  0.575  0.750  1.0
  Se  Se17  1  0.425  0.049  0.750  1.0
  Se  Se18  1  0.049  0.425  0.250  1.0
  Se  Se19  1  0.575  0.951  0.250  1.0
  Se  Se20  1  0.139  0.262  0.946  1.0
  Se  Se21  1  0.738  0.861  0.554  1.0
  Se  Se22  1  0.861  0.738  0.054  1.0
  Se  Se23  1  0.262  0.139  0.446  1.0
  Se  Se24  1  0.950  0.050  0.750  1.0
  Se  Se25  1  0.050  0.950  0.250  1.0
  Se  Se26  1  0.638  0.263  0.947  1.0
  Se  Se27  1  0.737  0.362  0.553  1.0
  Se  Se28  1  0.362  0.737  0.053  1.0
  Se  Se29  1  0.263  0.638  0.447  1.0
  Se  Se30  1  0.425  0.575  0.750  1.0
  Se  Se31  1  0.575  0.425  0.250  1.0
[/CIF]
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