The material described by K2FeH2OCl5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms. Fe(1) is bonded in an octahedral geometry to one O(1), one Cl(1), one Cl(2), one Cl(3), and two equivalent Cl(4) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent H(1) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Fe(1) atom. In the second Cl site, Cl(1) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Fe(1) atom. In the third Cl site, Cl(2) is bonded to four equivalent K(1) and one Fe(1) atom to form a mixture of distorted face, corner, and edge-sharing ClK4Fe square pyramids. In the fourth Cl site, Cl(3) is bonded to four equivalent K(1) and one Fe(1) atom to form a mixture of distorted face, corner, and edge-sharing ClK4Fe square pyramids. is represented by the CIF card [CIF]
data_K2FeH2Cl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.401
_cell_length_b   9.553
_cell_length_c   13.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   988.221
_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  0.134  0.997  0.351  1.0
  K  K1  1  0.634  0.003  0.149  1.0
  K  K2  1  0.866  0.497  0.649  1.0
  K  K3  1  0.366  0.503  0.851  1.0
  K  K4  1  0.634  0.497  0.149  1.0
  K  K5  1  0.134  0.503  0.351  1.0
  K  K6  1  0.366  0.997  0.851  1.0
  K  K7  1  0.866  0.003  0.649  1.0
  Fe  Fe8  1  0.189  0.750  0.110  1.0
  Fe  Fe9  1  0.689  0.250  0.390  1.0
  Fe  Fe10  1  0.811  0.250  0.890  1.0
  Fe  Fe11  1  0.311  0.750  0.610  1.0
  H  H12  1  0.460  0.166  0.535  1.0
  H  H13  1  0.960  0.834  0.965  1.0
  H  H14  1  0.540  0.666  0.465  1.0
  H  H15  1  0.040  0.334  0.035  1.0
  H  H16  1  0.540  0.834  0.465  1.0
  H  H17  1  0.040  0.166  0.035  1.0
  H  H18  1  0.460  0.334  0.535  1.0
  H  H19  1  0.960  0.666  0.965  1.0
  Cl  Cl20  1  0.925  0.750  0.210  1.0
  Cl  Cl21  1  0.425  0.250  0.290  1.0
  Cl  Cl22  1  0.075  0.250  0.790  1.0
  Cl  Cl23  1  0.575  0.750  0.710  1.0
  Cl  Cl24  1  0.379  0.750  0.247  1.0
  Cl  Cl25  1  0.879  0.250  0.253  1.0
  Cl  Cl26  1  0.621  0.250  0.753  1.0
  Cl  Cl27  1  0.121  0.750  0.747  1.0
  Cl  Cl28  1  0.457  0.750  0.008  1.0
  Cl  Cl29  1  0.957  0.250  0.492  1.0
  Cl  Cl30  1  0.543  0.250  0.992  1.0
  Cl  Cl31  1  0.043  0.750  0.508  1.0
  Cl  Cl32  1  0.187  0.001  0.102  1.0
  Cl  Cl33  1  0.687  0.999  0.398  1.0
  Cl  Cl34  1  0.813  0.501  0.898  1.0
  Cl  Cl35  1  0.313  0.499  0.602  1.0
  Cl  Cl36  1  0.813  0.999  0.898  1.0
  Cl  Cl37  1  0.313  0.001  0.602  1.0
  Cl  Cl38  1  0.187  0.499  0.102  1.0
  Cl  Cl39  1  0.687  0.501  0.398  1.0
  O  O40  1  0.474  0.750  0.488  1.0
  O  O41  1  0.974  0.250  0.012  1.0
  O  O42  1  0.526  0.250  0.512  1.0
  O  O43  1  0.026  0.750  0.988  1.0
[/CIF]
.
The material described by K2FeH2OCl5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms. Fe(1) is bonded in an octahedral geometry to one O(1), one Cl(1), one Cl(2), one Cl(3), and two equivalent Cl(4) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent H(1) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Fe(1) atom. In the second Cl site, Cl(1) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Fe(1) atom. In the third Cl site, Cl(2) is bonded to four equivalent K(1) and one Fe(1) atom to form a mixture of distorted face, corner, and edge-sharing ClK4Fe square pyramids. In the fourth Cl site, Cl(3) is bonded to four equivalent K(1) and one Fe(1) atom to form a mixture of distorted face, corner, and edge-sharing ClK4Fe square pyramids. is represented by the CIF card [CIF]
data_K2FeH2Cl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.401
_cell_length_b   9.553
_cell_length_c   13.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   988.221
_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  0.134  0.997  0.351  1.0
  K  K1  1  0.634  0.003  0.149  1.0
  K  K2  1  0.866  0.497  0.649  1.0
  K  K3  1  0.366  0.503  0.851  1.0
  K  K4  1  0.634  0.497  0.149  1.0
  K  K5  1  0.134  0.503  0.351  1.0
  K  K6  1  0.366  0.997  0.851  1.0
  K  K7  1  0.866  0.003  0.649  1.0
  Fe  Fe8  1  0.189  0.750  0.110  1.0
  Fe  Fe9  1  0.689  0.250  0.390  1.0
  Fe  Fe10  1  0.811  0.250  0.890  1.0
  Fe  Fe11  1  0.311  0.750  0.610  1.0
  H  H12  1  0.460  0.166  0.535  1.0
  H  H13  1  0.960  0.834  0.965  1.0
  H  H14  1  0.540  0.666  0.465  1.0
  H  H15  1  0.040  0.334  0.035  1.0
  H  H16  1  0.540  0.834  0.465  1.0
  H  H17  1  0.040  0.166  0.035  1.0
  H  H18  1  0.460  0.334  0.535  1.0
  H  H19  1  0.960  0.666  0.965  1.0
  Cl  Cl20  1  0.925  0.750  0.210  1.0
  Cl  Cl21  1  0.425  0.250  0.290  1.0
  Cl  Cl22  1  0.075  0.250  0.790  1.0
  Cl  Cl23  1  0.575  0.750  0.710  1.0
  Cl  Cl24  1  0.379  0.750  0.247  1.0
  Cl  Cl25  1  0.879  0.250  0.253  1.0
  Cl  Cl26  1  0.621  0.250  0.753  1.0
  Cl  Cl27  1  0.121  0.750  0.747  1.0
  Cl  Cl28  1  0.457  0.750  0.008  1.0
  Cl  Cl29  1  0.957  0.250  0.492  1.0
  Cl  Cl30  1  0.543  0.250  0.992  1.0
  Cl  Cl31  1  0.043  0.750  0.508  1.0
  Cl  Cl32  1  0.187  0.001  0.102  1.0
  Cl  Cl33  1  0.687  0.999  0.398  1.0
  Cl  Cl34  1  0.813  0.501  0.898  1.0
  Cl  Cl35  1  0.313  0.499  0.602  1.0
  Cl  Cl36  1  0.813  0.999  0.898  1.0
  Cl  Cl37  1  0.313  0.001  0.602  1.0
  Cl  Cl38  1  0.187  0.499  0.102  1.0
  Cl  Cl39  1  0.687  0.501  0.398  1.0
  O  O40  1  0.474  0.750  0.488  1.0
  O  O41  1  0.974  0.250  0.012  1.0
  O  O42  1  0.526  0.250  0.512  1.0
  O  O43  1  0.026  0.750  0.988  1.0
[/CIF]
.