The structure described by In23Se28 crystallizes in the monoclinic Cm space group. There are seventeen inequivalent In sites. In the first In site, In(1) is bonded to one Se(16), one Se(19), two equivalent Se(15), and two equivalent Se(21) atoms to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second In site, In(2) is bonded to one Se(17), one Se(20), two equivalent Se(15), and two equivalent Se(21) atoms to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the third In site, In(3) is bonded to one Se(13), one Se(14), one Se(18), one Se(19), one Se(20), and one Se(21) atom to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the fourth In site, In(4) is bonded to one Se(14), one Se(7), two equivalent Se(15), and two equivalent Se(18) atoms to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the fifth In site, In(5) is bonded to one Se(13), one Se(8), two equivalent Se(15), and two equivalent Se(18) atoms to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the sixth In site, In(6) is bonded to one Se(13), one Se(14), one Se(15), one Se(16), one Se(17), and one Se(9) atom to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the seventh In site, In(7) is bonded in a 3-coordinate geometry to one Se(10) and two equivalent Se(9) atoms. In the eighth In site, In(8) is bonded in a 3-coordinate geometry to one Se(11) and two equivalent Se(9) atoms. In the ninth In site, In(9) is bonded in a 3-coordinate geometry to one Se(12), one Se(7), and one Se(8) atom. In the tenth In site, In(10) is bonded to one Se(11), one Se(4), two equivalent Se(12), and two equivalent Se(3) atoms to form edge-sharing InSe6 octahedra. In the eleventh In site, In(11) is bonded to one Se(10), one Se(5), two equivalent Se(12), and two equivalent Se(3) atoms to form edge-sharing InSe6 octahedra. In the twelfth In site, In(12) is bonded to one Se(1), one Se(10), one Se(11), one Se(12), one Se(2), and one Se(6) atom to form edge-sharing InSe6 octahedra. In the thirteenth In site, In(13) is bonded in a 3-coordinate geometry to one Se(2) and two equivalent Se(6) atoms. In the fourteenth In site, In(14) is bonded in a 3-coordinate geometry to one Se(1) and two equivalent Se(6) atoms. In the fifteenth In site, In(15) is bonded in a 3-coordinate geometry to one Se(3), one Se(4), and one Se(5) atom. In the sixteenth In site, In(16) is bonded in a 4-coordinate geometry to two equivalent Se(21) and two equivalent Se(6) atoms. In the seventeenth In site, In(17) is bonded in a 4-coordinate geometry to one Se(19), one Se(20), one Se(4), and one Se(5) atom. There are twenty-one inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one In(14) and two equivalent In(12) atoms. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one In(13) and two equivalent In(12) atoms. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to one In(10), one In(11), and one In(15) atom. In the fourth Se site, Se(4) is bonded to one In(10), two equivalent In(15), and two equivalent In(17) atoms to form a mixture of edge and corner-sharing SeIn5 square pyramids. In the fifth Se site, Se(5) is bonded to one In(11), two equivalent In(15), and two equivalent In(17) atoms to form a mixture of edge and corner-sharing SeIn5 square pyramids. In the sixth Se site, Se(6) is bonded in a rectangular see-saw-like geometry to one In(12), one In(13), one In(14), and one In(16) atom. In the seventh Se site, Se(7) is bonded in a trigonal non-coplanar geometry to one In(4) and two equivalent In(9) atoms. In the eighth Se site, Se(8) is bonded in a trigonal non-coplanar geometry to one In(5) and two equivalent In(9) atoms. In the ninth Se site, Se(9) is bonded in a distorted trigonal non-coplanar geometry to one In(6), one In(7), and one In(8) atom. In the tenth Se site, Se(10) is bonded in a rectangular see-saw-like geometry to one In(11), one In(7), and two equivalent In(12) atoms. In the eleventh Se site, Se(11) is bonded in a rectangular see-saw-like geometry to one In(10), one In(8), and two equivalent In(12) atoms. In the twelfth Se site, Se(12) is bonded in a rectangular see-saw-like geometry to one In(10), one In(11), one In(12), and one In(9) atom. In the thirteenth Se site, Se(13) is bonded to one In(5), two equivalent In(3), and two equivalent In(6) atoms to form a mixture of edge and corner-sharing SeIn5 square pyramids. In the fourteenth Se site, Se(14) is bonded to one In(4), two equivalent In(3), and two equivalent In(6) atoms to form a mixture of edge and corner-sharing SeIn5 square pyramids. In the fifteenth Se site, Se(15) is bonded to one In(1), one In(2), one In(4), one In(5), and one In(6) atom to form a mixture of edge and corner-sharing SeIn5 square pyramids. In the sixteenth Se site, Se(16) is bonded in a distorted T-shaped geometry to one In(1) and two equivalent In(6) atoms. In the seventeenth Se site, Se(17) is bonded in a distorted T-shaped geometry to one In(2) and two equivalent In(6) atoms. In the eighteenth Se site, Se(18) is bonded in a distorted T-shaped geometry to one In(3), one In(4), and one In(5) atom. In the nineteenth Se site, Se(19) is bonded to one In(1), two equivalent In(17), and two equivalent In(3) atoms to form a mixture of distorted edge and corner-sharing SeIn5 trigonal bipyramids. In the twentieth Se site, Se(20) is bonded to one In(2), two equivalent In(17), and two equivalent In(3) atoms to form a mixture of distorted edge and corner-sharing SeIn5 trigonal bipyramids. In the twenty-first Se site, Se(21) is bonded in a rectangular see-saw-like geometry to one In(1), one In(16), one In(2), and one In(3) atom. is represented by the CIF file [CIF]
data_In23Se28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.452
_cell_length_b   10.452
_cell_length_c   18.695
_cell_angle_alpha   72.751
_cell_angle_beta   72.751
_cell_angle_gamma   46.472
_symmetry_Int_Tables_number   1
_cell_volume   1401.675
_cell_formula_units_Z   1
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
  In  In0  1  0.193  0.193  0.533  1.0
  In  In1  1  0.693  0.693  0.535  1.0
  In  In2  1  0.303  0.804  0.469  1.0
  In  In3  1  0.804  0.303  0.469  1.0
  In  In4  1  0.417  0.417  0.397  1.0
  In  In5  1  0.916  0.916  0.398  1.0
  In  In6  1  0.082  0.583  0.605  1.0
  In  In7  1  0.583  0.082  0.605  1.0
  In  In8  1  0.809  0.809  0.810  1.0
  In  In9  1  0.310  0.310  0.811  1.0
  In  In10  1  0.691  0.191  0.188  1.0
  In  In11  1  0.191  0.691  0.188  1.0
  In  In12  1  0.280  0.280  0.045  1.0
  In  In13  1  0.780  0.780  0.046  1.0
  In  In14  1  0.221  0.722  0.953  1.0
  In  In15  1  0.722  0.221  0.953  1.0
  In  In16  1  0.153  0.153  0.876  1.0
  In  In17  1  0.652  0.652  0.876  1.0
  In  In18  1  0.347  0.847  0.122  1.0
  In  In19  1  0.847  0.347  0.122  1.0
  In  In20  1  0.028  0.028  0.726  1.0
  In  In21  1  0.971  0.470  0.276  1.0
  In  In22  1  0.470  0.971  0.276  1.0
  Se  Se23  1  0.540  0.540  0.008  1.0
  Se  Se24  1  0.040  0.040  0.009  1.0
  Se  Se25  1  0.959  0.462  0.993  1.0
  Se  Se26  1  0.462  0.959  0.993  1.0
  Se  Se27  1  0.161  0.161  0.178  1.0
  Se  Se28  1  0.660  0.660  0.179  1.0
  Se  Se29  1  0.339  0.842  0.823  1.0
  Se  Se30  1  0.842  0.339  0.823  1.0
  Se  Se31  1  0.367  0.367  0.272  1.0
  Se  Se32  1  0.867  0.867  0.272  1.0
  Se  Se33  1  0.132  0.635  0.727  1.0
  Se  Se34  1  0.635  0.132  0.727  1.0
  Se  Se35  1  0.893  0.893  0.908  1.0
  Se  Se36  1  0.392  0.392  0.910  1.0
  Se  Se37  1  0.607  0.106  0.093  1.0
  Se  Se38  1  0.106  0.607  0.093  1.0
  Se  Se39  1  0.945  0.945  0.532  1.0
  Se  Se40  1  0.444  0.444  0.533  1.0
  Se  Se41  1  0.557  0.057  0.467  1.0
  Se  Se42  1  0.057  0.557  0.467  1.0
  Se  Se43  1  0.238  0.238  0.657  1.0
  Se  Se44  1  0.738  0.738  0.657  1.0
  Se  Se45  1  0.262  0.763  0.343  1.0
  Se  Se46  1  0.763  0.262  0.343  1.0
  Se  Se47  1  0.157  0.157  0.403  1.0
  Se  Se48  1  0.656  0.656  0.406  1.0
  Se  Se49  1  0.344  0.848  0.591  1.0
  Se  Se50  1  0.848  0.344  0.591  1.0
[/CIF]
.
The structure described by In23Se28 crystallizes in the monoclinic Cm space group. There are seventeen inequivalent In sites. In the first In site, In(1) is bonded to one Se(16), one Se(19), two equivalent Se(15), and two equivalent Se(21) atoms to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second In site, In(2) is bonded to one Se(17), one Se(20), two equivalent Se(15), and two equivalent Se(21) atoms to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the third In site, In(3) is bonded to one Se(13), one Se(14), one Se(18), one Se(19), one Se(20), and one Se(21) atom to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the fourth In site, In(4) is bonded to one Se(14), one Se(7), two equivalent Se(15), and two equivalent Se(18) atoms to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the fifth In site, In(5) is bonded to one Se(13), one Se(8), two equivalent Se(15), and two equivalent Se(18) atoms to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the sixth In site, In(6) is bonded to one Se(13), one Se(14), one Se(15), one Se(16), one Se(17), and one Se(9) atom to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the seventh In site, In(7) is bonded in a 3-coordinate geometry to one Se(10) and two equivalent Se(9) atoms. In the eighth In site, In(8) is bonded in a 3-coordinate geometry to one Se(11) and two equivalent Se(9) atoms. In the ninth In site, In(9) is bonded in a 3-coordinate geometry to one Se(12), one Se(7), and one Se(8) atom. In the tenth In site, In(10) is bonded to one Se(11), one Se(4), two equivalent Se(12), and two equivalent Se(3) atoms to form edge-sharing InSe6 octahedra. In the eleventh In site, In(11) is bonded to one Se(10), one Se(5), two equivalent Se(12), and two equivalent Se(3) atoms to form edge-sharing InSe6 octahedra. In the twelfth In site, In(12) is bonded to one Se(1), one Se(10), one Se(11), one Se(12), one Se(2), and one Se(6) atom to form edge-sharing InSe6 octahedra. In the thirteenth In site, In(13) is bonded in a 3-coordinate geometry to one Se(2) and two equivalent Se(6) atoms. In the fourteenth In site, In(14) is bonded in a 3-coordinate geometry to one Se(1) and two equivalent Se(6) atoms. In the fifteenth In site, In(15) is bonded in a 3-coordinate geometry to one Se(3), one Se(4), and one Se(5) atom. In the sixteenth In site, In(16) is bonded in a 4-coordinate geometry to two equivalent Se(21) and two equivalent Se(6) atoms. In the seventeenth In site, In(17) is bonded in a 4-coordinate geometry to one Se(19), one Se(20), one Se(4), and one Se(5) atom. There are twenty-one inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one In(14) and two equivalent In(12) atoms. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one In(13) and two equivalent In(12) atoms. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to one In(10), one In(11), and one In(15) atom. In the fourth Se site, Se(4) is bonded to one In(10), two equivalent In(15), and two equivalent In(17) atoms to form a mixture of edge and corner-sharing SeIn5 square pyramids. In the fifth Se site, Se(5) is bonded to one In(11), two equivalent In(15), and two equivalent In(17) atoms to form a mixture of edge and corner-sharing SeIn5 square pyramids. In the sixth Se site, Se(6) is bonded in a rectangular see-saw-like geometry to one In(12), one In(13), one In(14), and one In(16) atom. In the seventh Se site, Se(7) is bonded in a trigonal non-coplanar geometry to one In(4) and two equivalent In(9) atoms. In the eighth Se site, Se(8) is bonded in a trigonal non-coplanar geometry to one In(5) and two equivalent In(9) atoms. In the ninth Se site, Se(9) is bonded in a distorted trigonal non-coplanar geometry to one In(6), one In(7), and one In(8) atom. In the tenth Se site, Se(10) is bonded in a rectangular see-saw-like geometry to one In(11), one In(7), and two equivalent In(12) atoms. In the eleventh Se site, Se(11) is bonded in a rectangular see-saw-like geometry to one In(10), one In(8), and two equivalent In(12) atoms. In the twelfth Se site, Se(12) is bonded in a rectangular see-saw-like geometry to one In(10), one In(11), one In(12), and one In(9) atom. In the thirteenth Se site, Se(13) is bonded to one In(5), two equivalent In(3), and two equivalent In(6) atoms to form a mixture of edge and corner-sharing SeIn5 square pyramids. In the fourteenth Se site, Se(14) is bonded to one In(4), two equivalent In(3), and two equivalent In(6) atoms to form a mixture of edge and corner-sharing SeIn5 square pyramids. In the fifteenth Se site, Se(15) is bonded to one In(1), one In(2), one In(4), one In(5), and one In(6) atom to form a mixture of edge and corner-sharing SeIn5 square pyramids. In the sixteenth Se site, Se(16) is bonded in a distorted T-shaped geometry to one In(1) and two equivalent In(6) atoms. In the seventeenth Se site, Se(17) is bonded in a distorted T-shaped geometry to one In(2) and two equivalent In(6) atoms. In the eighteenth Se site, Se(18) is bonded in a distorted T-shaped geometry to one In(3), one In(4), and one In(5) atom. In the nineteenth Se site, Se(19) is bonded to one In(1), two equivalent In(17), and two equivalent In(3) atoms to form a mixture of distorted edge and corner-sharing SeIn5 trigonal bipyramids. In the twentieth Se site, Se(20) is bonded to one In(2), two equivalent In(17), and two equivalent In(3) atoms to form a mixture of distorted edge and corner-sharing SeIn5 trigonal bipyramids. In the twenty-first Se site, Se(21) is bonded in a rectangular see-saw-like geometry to one In(1), one In(16), one In(2), and one In(3) atom. is represented by the CIF file [CIF]
data_In23Se28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.452
_cell_length_b   10.452
_cell_length_c   18.695
_cell_angle_alpha   72.751
_cell_angle_beta   72.751
_cell_angle_gamma   46.472
_symmetry_Int_Tables_number   1
_cell_volume   1401.675
_cell_formula_units_Z   1
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
  In  In0  1  0.193  0.193  0.533  1.0
  In  In1  1  0.693  0.693  0.535  1.0
  In  In2  1  0.303  0.804  0.469  1.0
  In  In3  1  0.804  0.303  0.469  1.0
  In  In4  1  0.417  0.417  0.397  1.0
  In  In5  1  0.916  0.916  0.398  1.0
  In  In6  1  0.082  0.583  0.605  1.0
  In  In7  1  0.583  0.082  0.605  1.0
  In  In8  1  0.809  0.809  0.810  1.0
  In  In9  1  0.310  0.310  0.811  1.0
  In  In10  1  0.691  0.191  0.188  1.0
  In  In11  1  0.191  0.691  0.188  1.0
  In  In12  1  0.280  0.280  0.045  1.0
  In  In13  1  0.780  0.780  0.046  1.0
  In  In14  1  0.221  0.722  0.953  1.0
  In  In15  1  0.722  0.221  0.953  1.0
  In  In16  1  0.153  0.153  0.876  1.0
  In  In17  1  0.652  0.652  0.876  1.0
  In  In18  1  0.347  0.847  0.122  1.0
  In  In19  1  0.847  0.347  0.122  1.0
  In  In20  1  0.028  0.028  0.726  1.0
  In  In21  1  0.971  0.470  0.276  1.0
  In  In22  1  0.470  0.971  0.276  1.0
  Se  Se23  1  0.540  0.540  0.008  1.0
  Se  Se24  1  0.040  0.040  0.009  1.0
  Se  Se25  1  0.959  0.462  0.993  1.0
  Se  Se26  1  0.462  0.959  0.993  1.0
  Se  Se27  1  0.161  0.161  0.178  1.0
  Se  Se28  1  0.660  0.660  0.179  1.0
  Se  Se29  1  0.339  0.842  0.823  1.0
  Se  Se30  1  0.842  0.339  0.823  1.0
  Se  Se31  1  0.367  0.367  0.272  1.0
  Se  Se32  1  0.867  0.867  0.272  1.0
  Se  Se33  1  0.132  0.635  0.727  1.0
  Se  Se34  1  0.635  0.132  0.727  1.0
  Se  Se35  1  0.893  0.893  0.908  1.0
  Se  Se36  1  0.392  0.392  0.910  1.0
  Se  Se37  1  0.607  0.106  0.093  1.0
  Se  Se38  1  0.106  0.607  0.093  1.0
  Se  Se39  1  0.945  0.945  0.532  1.0
  Se  Se40  1  0.444  0.444  0.533  1.0
  Se  Se41  1  0.557  0.057  0.467  1.0
  Se  Se42  1  0.057  0.557  0.467  1.0
  Se  Se43  1  0.238  0.238  0.657  1.0
  Se  Se44  1  0.738  0.738  0.657  1.0
  Se  Se45  1  0.262  0.763  0.343  1.0
  Se  Se46  1  0.763  0.262  0.343  1.0
  Se  Se47  1  0.157  0.157  0.403  1.0
  Se  Se48  1  0.656  0.656  0.406  1.0
  Se  Se49  1  0.344  0.848  0.591  1.0
  Se  Se50  1  0.848  0.344  0.591  1.0
[/CIF]
.