The structure described by Cs2FeOCl5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to two equivalent O(1), one Cl(1), and eight equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded in a distorted q6 geometry to two equivalent Cl(1) and eight equivalent Cl(2) atoms. Fe(1) is bonded in an octahedral geometry to one O(1), one Cl(1), and four equivalent Cl(2) atoms. O(1) is bonded in a single-bond geometry to two equivalent Cs(1) and one Fe(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Fe(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Cs2FeCl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.572
_cell_length_b   9.572
_cell_length_c   8.790
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   135.994
_symmetry_Int_Tables_number   1
_cell_volume   559.533
_cell_formula_units_Z   2
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  0.531  0.469  0.750  1.0
  Cs  Cs1  1  0.469  0.531  0.250  1.0
  Cs  Cs2  1  0.235  0.765  0.750  1.0
  Cs  Cs3  1  0.765  0.235  0.250  1.0
  Fe  Fe4  1  0.883  0.117  0.750  1.0
  Fe  Fe5  1  0.117  0.883  0.250  1.0
  Cl  Cl6  1  0.753  0.247  0.750  1.0
  Cl  Cl7  1  0.247  0.753  0.250  1.0
  Cl  Cl8  1  0.649  0.879  0.557  1.0
  Cl  Cl9  1  0.879  0.649  0.443  1.0
  Cl  Cl10  1  0.649  0.879  0.943  1.0
  Cl  Cl11  1  0.879  0.649  0.057  1.0
  Cl  Cl12  1  0.351  0.121  0.443  1.0
  Cl  Cl13  1  0.121  0.351  0.557  1.0
  Cl  Cl14  1  0.351  0.121  0.057  1.0
  Cl  Cl15  1  0.121  0.351  0.943  1.0
  O  O16  1  0.983  0.017  0.750  1.0
  O  O17  1  0.017  0.983  0.250  1.0
[/CIF]
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The structure described by Cs2FeOCl5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to two equivalent O(1), one Cl(1), and eight equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded in a distorted q6 geometry to two equivalent Cl(1) and eight equivalent Cl(2) atoms. Fe(1) is bonded in an octahedral geometry to one O(1), one Cl(1), and four equivalent Cl(2) atoms. O(1) is bonded in a single-bond geometry to two equivalent Cs(1) and one Fe(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Fe(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Cs2FeCl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.572
_cell_length_b   9.572
_cell_length_c   8.790
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   135.994
_symmetry_Int_Tables_number   1
_cell_volume   559.533
_cell_formula_units_Z   2
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  0.531  0.469  0.750  1.0
  Cs  Cs1  1  0.469  0.531  0.250  1.0
  Cs  Cs2  1  0.235  0.765  0.750  1.0
  Cs  Cs3  1  0.765  0.235  0.250  1.0
  Fe  Fe4  1  0.883  0.117  0.750  1.0
  Fe  Fe5  1  0.117  0.883  0.250  1.0
  Cl  Cl6  1  0.753  0.247  0.750  1.0
  Cl  Cl7  1  0.247  0.753  0.250  1.0
  Cl  Cl8  1  0.649  0.879  0.557  1.0
  Cl  Cl9  1  0.879  0.649  0.443  1.0
  Cl  Cl10  1  0.649  0.879  0.943  1.0
  Cl  Cl11  1  0.879  0.649  0.057  1.0
  Cl  Cl12  1  0.351  0.121  0.443  1.0
  Cl  Cl13  1  0.121  0.351  0.557  1.0
  Cl  Cl14  1  0.351  0.121  0.057  1.0
  Cl  Cl15  1  0.121  0.351  0.943  1.0
  O  O16  1  0.983  0.017  0.750  1.0
  O  O17  1  0.017  0.983  0.250  1.0
[/CIF]
.