The compound described by Cs2InOCl5 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 10-coordinate geometry to one O(1), one Cl(1), two equivalent Cl(2), two equivalent Cl(3), and four equivalent Cl(4) atoms. In(1) is bonded in a trigonal bipyramidal geometry to one O(1), one Cl(2), one Cl(3), and two equivalent Cl(4) atoms. O(1) is bonded in a distorted water-like 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 single-bond geometry to two equivalent Cs(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 distorted single-bond geometry to four equivalent Cs(1) and one In(1) atom. In the fourth Cl site, Cl(4) is bonded to four equivalent Cs(1) and one In(1) atom to form a mixture of distorted edge and corner-sharing ClCs4In square pyramids. is represented by the CIF card [CIF]
data_Cs2InCl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.498
_cell_length_b   11.525
_cell_length_c   14.652
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1266.106
_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  0.212  0.491  0.371  1.0
  Cs  Cs1  1  0.288  0.009  0.871  1.0
  Cs  Cs2  1  0.788  0.991  0.629  1.0
  Cs  Cs3  1  0.712  0.509  0.129  1.0
  Cs  Cs4  1  0.788  0.509  0.629  1.0
  Cs  Cs5  1  0.712  0.991  0.129  1.0
  Cs  Cs6  1  0.212  0.009  0.371  1.0
  Cs  Cs7  1  0.288  0.491  0.871  1.0
  In  In8  1  0.263  0.750  0.616  1.0
  In  In9  1  0.237  0.750  0.116  1.0
  In  In10  1  0.737  0.250  0.384  1.0
  In  In11  1  0.763  0.250  0.884  1.0
  Cl  Cl12  1  0.900  0.750  0.238  1.0
  Cl  Cl13  1  0.600  0.750  0.738  1.0
  Cl  Cl14  1  0.100  0.250  0.762  1.0
  Cl  Cl15  1  0.400  0.250  0.262  1.0
  Cl  Cl16  1  0.399  0.750  0.261  1.0
  Cl  Cl17  1  0.101  0.750  0.761  1.0
  Cl  Cl18  1  0.601  0.250  0.739  1.0
  Cl  Cl19  1  0.899  0.250  0.239  1.0
  Cl  Cl20  1  0.447  0.750  0.987  1.0
  Cl  Cl21  1  0.053  0.750  0.487  1.0
  Cl  Cl22  1  0.553  0.250  0.013  1.0
  Cl  Cl23  1  0.947  0.250  0.513  1.0
  Cl  Cl24  1  0.225  0.530  0.110  1.0
  Cl  Cl25  1  0.275  0.970  0.610  1.0
  Cl  Cl26  1  0.775  0.030  0.890  1.0
  Cl  Cl27  1  0.725  0.470  0.390  1.0
  Cl  Cl28  1  0.775  0.470  0.890  1.0
  Cl  Cl29  1  0.725  0.030  0.390  1.0
  Cl  Cl30  1  0.225  0.970  0.110  1.0
  Cl  Cl31  1  0.275  0.530  0.610  1.0
  O  O32  1  0.950  0.750  0.125  1.0
  O  O33  1  0.550  0.750  0.625  1.0
  O  O34  1  0.050  0.250  0.875  1.0
  O  O35  1  0.450  0.250  0.375  1.0
[/CIF]
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The compound described by Cs2InOCl5 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 10-coordinate geometry to one O(1), one Cl(1), two equivalent Cl(2), two equivalent Cl(3), and four equivalent Cl(4) atoms. In(1) is bonded in a trigonal bipyramidal geometry to one O(1), one Cl(2), one Cl(3), and two equivalent Cl(4) atoms. O(1) is bonded in a distorted water-like 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 single-bond geometry to two equivalent Cs(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 distorted single-bond geometry to four equivalent Cs(1) and one In(1) atom. In the fourth Cl site, Cl(4) is bonded to four equivalent Cs(1) and one In(1) atom to form a mixture of distorted edge and corner-sharing ClCs4In square pyramids. is represented by the CIF card [CIF]
data_Cs2InCl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.498
_cell_length_b   11.525
_cell_length_c   14.652
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1266.106
_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  0.212  0.491  0.371  1.0
  Cs  Cs1  1  0.288  0.009  0.871  1.0
  Cs  Cs2  1  0.788  0.991  0.629  1.0
  Cs  Cs3  1  0.712  0.509  0.129  1.0
  Cs  Cs4  1  0.788  0.509  0.629  1.0
  Cs  Cs5  1  0.712  0.991  0.129  1.0
  Cs  Cs6  1  0.212  0.009  0.371  1.0
  Cs  Cs7  1  0.288  0.491  0.871  1.0
  In  In8  1  0.263  0.750  0.616  1.0
  In  In9  1  0.237  0.750  0.116  1.0
  In  In10  1  0.737  0.250  0.384  1.0
  In  In11  1  0.763  0.250  0.884  1.0
  Cl  Cl12  1  0.900  0.750  0.238  1.0
  Cl  Cl13  1  0.600  0.750  0.738  1.0
  Cl  Cl14  1  0.100  0.250  0.762  1.0
  Cl  Cl15  1  0.400  0.250  0.262  1.0
  Cl  Cl16  1  0.399  0.750  0.261  1.0
  Cl  Cl17  1  0.101  0.750  0.761  1.0
  Cl  Cl18  1  0.601  0.250  0.739  1.0
  Cl  Cl19  1  0.899  0.250  0.239  1.0
  Cl  Cl20  1  0.447  0.750  0.987  1.0
  Cl  Cl21  1  0.053  0.750  0.487  1.0
  Cl  Cl22  1  0.553  0.250  0.013  1.0
  Cl  Cl23  1  0.947  0.250  0.513  1.0
  Cl  Cl24  1  0.225  0.530  0.110  1.0
  Cl  Cl25  1  0.275  0.970  0.610  1.0
  Cl  Cl26  1  0.775  0.030  0.890  1.0
  Cl  Cl27  1  0.725  0.470  0.390  1.0
  Cl  Cl28  1  0.775  0.470  0.890  1.0
  Cl  Cl29  1  0.725  0.030  0.390  1.0
  Cl  Cl30  1  0.225  0.970  0.110  1.0
  Cl  Cl31  1  0.275  0.530  0.610  1.0
  O  O32  1  0.950  0.750  0.125  1.0
  O  O33  1  0.550  0.750  0.625  1.0
  O  O34  1  0.050  0.250  0.875  1.0
  O  O35  1  0.450  0.250  0.375  1.0
[/CIF]
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