The compound described by K2FeOCl5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and four equivalent Cl(4) atoms. Fe(1) is bonded in a distorted octahedral 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 one Fe(1) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent K(1) and one Fe(1) atom to form a mixture of face, edge, and corner-sharing ClK4Fe square pyramids. In the second Cl site, Cl(2) is bonded to four equivalent K(1) and one Fe(1) atom to form a mixture of distorted face, edge, and corner-sharing ClK4Fe square pyramids. In the third Cl site, Cl(3) is bonded to four equivalent K(1) and one Fe(1) atom to form a mixture of distorted face, edge, and corner-sharing ClK4Fe square pyramids. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2FeCl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.063
_cell_length_b   9.568
_cell_length_c   13.724
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   927.487
_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
  K  K0  1  0.819  1.000  0.136  1.0
  K  K1  1  0.681  0.500  0.636  1.0
  K  K2  1  0.181  0.500  0.864  1.0
  K  K3  1  0.319  0.000  0.364  1.0
  K  K4  1  0.181  0.000  0.864  1.0
  K  K5  1  0.319  0.500  0.364  1.0
  K  K6  1  0.819  0.500  0.136  1.0
  K  K7  1  0.681  1.000  0.636  1.0
  Fe  Fe8  1  0.801  0.750  0.386  1.0
  Fe  Fe9  1  0.699  0.750  0.886  1.0
  Fe  Fe10  1  0.199  0.250  0.614  1.0
  Fe  Fe11  1  0.301  0.250  0.114  1.0
  Cl  Cl12  1  0.524  0.750  0.492  1.0
  Cl  Cl13  1  0.976  0.750  0.992  1.0
  Cl  Cl14  1  0.476  0.250  0.508  1.0
  Cl  Cl15  1  0.024  0.250  0.008  1.0
  Cl  Cl16  1  0.595  0.750  0.256  1.0
  Cl  Cl17  1  0.905  0.750  0.756  1.0
  Cl  Cl18  1  0.405  0.250  0.744  1.0
  Cl  Cl19  1  0.095  0.250  0.244  1.0
  Cl  Cl20  1  0.060  0.750  0.269  1.0
  Cl  Cl21  1  0.440  0.750  0.769  1.0
  Cl  Cl22  1  0.940  0.250  0.731  1.0
  Cl  Cl23  1  0.560  0.250  0.231  1.0
  Cl  Cl24  1  0.822  0.993  0.400  1.0
  Cl  Cl25  1  0.678  0.507  0.900  1.0
  Cl  Cl26  1  0.178  0.493  0.600  1.0
  Cl  Cl27  1  0.322  0.007  0.100  1.0
  Cl  Cl28  1  0.178  0.007  0.600  1.0
  Cl  Cl29  1  0.322  0.493  0.100  1.0
  Cl  Cl30  1  0.822  0.507  0.400  1.0
  Cl  Cl31  1  0.678  0.993  0.900  1.0
  O  O32  1  0.958  0.750  0.487  1.0
  O  O33  1  0.542  0.750  0.987  1.0
  O  O34  1  0.042  0.250  0.513  1.0
  O  O35  1  0.458  0.250  0.013  1.0
[/CIF]
.
The compound described by K2FeOCl5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and four equivalent Cl(4) atoms. Fe(1) is bonded in a distorted octahedral 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 one Fe(1) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent K(1) and one Fe(1) atom to form a mixture of face, edge, and corner-sharing ClK4Fe square pyramids. In the second Cl site, Cl(2) is bonded to four equivalent K(1) and one Fe(1) atom to form a mixture of distorted face, edge, and corner-sharing ClK4Fe square pyramids. In the third Cl site, Cl(3) is bonded to four equivalent K(1) and one Fe(1) atom to form a mixture of distorted face, edge, and corner-sharing ClK4Fe square pyramids. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2FeCl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.063
_cell_length_b   9.568
_cell_length_c   13.724
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   927.487
_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
  K  K0  1  0.819  1.000  0.136  1.0
  K  K1  1  0.681  0.500  0.636  1.0
  K  K2  1  0.181  0.500  0.864  1.0
  K  K3  1  0.319  0.000  0.364  1.0
  K  K4  1  0.181  0.000  0.864  1.0
  K  K5  1  0.319  0.500  0.364  1.0
  K  K6  1  0.819  0.500  0.136  1.0
  K  K7  1  0.681  1.000  0.636  1.0
  Fe  Fe8  1  0.801  0.750  0.386  1.0
  Fe  Fe9  1  0.699  0.750  0.886  1.0
  Fe  Fe10  1  0.199  0.250  0.614  1.0
  Fe  Fe11  1  0.301  0.250  0.114  1.0
  Cl  Cl12  1  0.524  0.750  0.492  1.0
  Cl  Cl13  1  0.976  0.750  0.992  1.0
  Cl  Cl14  1  0.476  0.250  0.508  1.0
  Cl  Cl15  1  0.024  0.250  0.008  1.0
  Cl  Cl16  1  0.595  0.750  0.256  1.0
  Cl  Cl17  1  0.905  0.750  0.756  1.0
  Cl  Cl18  1  0.405  0.250  0.744  1.0
  Cl  Cl19  1  0.095  0.250  0.244  1.0
  Cl  Cl20  1  0.060  0.750  0.269  1.0
  Cl  Cl21  1  0.440  0.750  0.769  1.0
  Cl  Cl22  1  0.940  0.250  0.731  1.0
  Cl  Cl23  1  0.560  0.250  0.231  1.0
  Cl  Cl24  1  0.822  0.993  0.400  1.0
  Cl  Cl25  1  0.678  0.507  0.900  1.0
  Cl  Cl26  1  0.178  0.493  0.600  1.0
  Cl  Cl27  1  0.322  0.007  0.100  1.0
  Cl  Cl28  1  0.178  0.007  0.600  1.0
  Cl  Cl29  1  0.322  0.493  0.100  1.0
  Cl  Cl30  1  0.822  0.507  0.400  1.0
  Cl  Cl31  1  0.678  0.993  0.900  1.0
  O  O32  1  0.958  0.750  0.487  1.0
  O  O33  1  0.542  0.750  0.987  1.0
  O  O34  1  0.042  0.250  0.513  1.0
  O  O35  1  0.458  0.250  0.013  1.0
[/CIF]
.