The crystal structure described by Cs2InOCl5 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 11-coordinate geometry to one O(1), two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and four equivalent Cl(4) atoms. In(1) is bonded in a 6-coordinate geometry to one O(1), one Cl(1), one Cl(2), one Cl(3), and two equivalent Cl(4) atoms. O(1) is bonded in a single-bond geometry to two equivalent Cs(1), one In(1), and one Cl(1) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one In(1), and one O(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one In(1) atom. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to four equivalent Cs(1) and one In(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one In(1) atom. is represented by the CIF card [CIF]
data_Cs2InCl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.858
_cell_length_b   11.072
_cell_length_c   14.480
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1259.854
_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
  Cs  Cs0  1  0.671  0.994  0.862  1.0
  Cs  Cs1  1  0.829  0.506  0.362  1.0
  Cs  Cs2  1  0.329  0.494  0.138  1.0
  Cs  Cs3  1  0.171  0.006  0.638  1.0
  Cs  Cs4  1  0.329  0.006  0.138  1.0
  Cs  Cs5  1  0.171  0.494  0.638  1.0
  Cs  Cs6  1  0.671  0.506  0.862  1.0
  Cs  Cs7  1  0.829  0.994  0.362  1.0
  In  In8  1  0.721  0.250  0.612  1.0
  In  In9  1  0.779  0.250  0.112  1.0
  In  In10  1  0.279  0.750  0.388  1.0
  In  In11  1  0.221  0.750  0.888  1.0
  Cl  Cl12  1  0.420  0.250  0.712  1.0
  Cl  Cl13  1  0.080  0.250  0.212  1.0
  Cl  Cl14  1  0.580  0.750  0.288  1.0
  Cl  Cl15  1  0.920  0.750  0.788  1.0
  Cl  Cl16  1  0.895  0.250  0.753  1.0
  Cl  Cl17  1  0.605  0.250  0.253  1.0
  Cl  Cl18  1  0.105  0.750  0.247  1.0
  Cl  Cl19  1  0.395  0.750  0.747  1.0
  Cl  Cl20  1  0.955  0.250  0.495  1.0
  Cl  Cl21  1  0.545  0.250  0.995  1.0
  Cl  Cl22  1  0.045  0.750  0.505  1.0
  Cl  Cl23  1  0.455  0.750  0.005  1.0
  Cl  Cl24  1  0.682  0.024  0.601  1.0
  Cl  Cl25  1  0.818  0.476  0.101  1.0
  Cl  Cl26  1  0.318  0.524  0.399  1.0
  Cl  Cl27  1  0.182  0.976  0.899  1.0
  Cl  Cl28  1  0.318  0.976  0.399  1.0
  Cl  Cl29  1  0.182  0.524  0.899  1.0
  Cl  Cl30  1  0.682  0.476  0.601  1.0
  Cl  Cl31  1  0.818  0.024  0.101  1.0
  O  O32  1  0.469  0.250  0.547  1.0
  O  O33  1  0.031  0.250  0.047  1.0
  O  O34  1  0.531  0.750  0.453  1.0
  O  O35  1  0.969  0.750  0.953  1.0
[/CIF]
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The crystal structure described by Cs2InOCl5 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 11-coordinate geometry to one O(1), two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and four equivalent Cl(4) atoms. In(1) is bonded in a 6-coordinate geometry to one O(1), one Cl(1), one Cl(2), one Cl(3), and two equivalent Cl(4) atoms. O(1) is bonded in a single-bond geometry to two equivalent Cs(1), one In(1), and one Cl(1) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one In(1), and one O(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one In(1) atom. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to four equivalent Cs(1) and one In(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one In(1) atom. is represented by the CIF card [CIF]
data_Cs2InCl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.858
_cell_length_b   11.072
_cell_length_c   14.480
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1259.854
_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
  Cs  Cs0  1  0.671  0.994  0.862  1.0
  Cs  Cs1  1  0.829  0.506  0.362  1.0
  Cs  Cs2  1  0.329  0.494  0.138  1.0
  Cs  Cs3  1  0.171  0.006  0.638  1.0
  Cs  Cs4  1  0.329  0.006  0.138  1.0
  Cs  Cs5  1  0.171  0.494  0.638  1.0
  Cs  Cs6  1  0.671  0.506  0.862  1.0
  Cs  Cs7  1  0.829  0.994  0.362  1.0
  In  In8  1  0.721  0.250  0.612  1.0
  In  In9  1  0.779  0.250  0.112  1.0
  In  In10  1  0.279  0.750  0.388  1.0
  In  In11  1  0.221  0.750  0.888  1.0
  Cl  Cl12  1  0.420  0.250  0.712  1.0
  Cl  Cl13  1  0.080  0.250  0.212  1.0
  Cl  Cl14  1  0.580  0.750  0.288  1.0
  Cl  Cl15  1  0.920  0.750  0.788  1.0
  Cl  Cl16  1  0.895  0.250  0.753  1.0
  Cl  Cl17  1  0.605  0.250  0.253  1.0
  Cl  Cl18  1  0.105  0.750  0.247  1.0
  Cl  Cl19  1  0.395  0.750  0.747  1.0
  Cl  Cl20  1  0.955  0.250  0.495  1.0
  Cl  Cl21  1  0.545  0.250  0.995  1.0
  Cl  Cl22  1  0.045  0.750  0.505  1.0
  Cl  Cl23  1  0.455  0.750  0.005  1.0
  Cl  Cl24  1  0.682  0.024  0.601  1.0
  Cl  Cl25  1  0.818  0.476  0.101  1.0
  Cl  Cl26  1  0.318  0.524  0.399  1.0
  Cl  Cl27  1  0.182  0.976  0.899  1.0
  Cl  Cl28  1  0.318  0.976  0.399  1.0
  Cl  Cl29  1  0.182  0.524  0.899  1.0
  Cl  Cl30  1  0.682  0.476  0.601  1.0
  Cl  Cl31  1  0.818  0.024  0.101  1.0
  O  O32  1  0.469  0.250  0.547  1.0
  O  O33  1  0.031  0.250  0.047  1.0
  O  O34  1  0.531  0.750  0.453  1.0
  O  O35  1  0.969  0.750  0.953  1.0
[/CIF]
.