The compound described by K2ReOCl5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 10-coordinate geometry to two equivalent Cl(2), two equivalent Cl(3), two equivalent Cl(4), and four equivalent Cl(1) atoms. Re(1) is bonded in a distorted octahedral geometry to one O(1), one Cl(2), one Cl(3), one Cl(4), and two equivalent Cl(1) atoms. O(1) is bonded in a single-bond geometry to one Re(1) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Re(1) atom. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Re(1) atom. In the third Cl site, Cl(3) is bonded to four equivalent K(1) and one Re(1) atom to form a mixture of distorted edge, face, and corner-sharing ClK4Re square pyramids. In the fourth Cl site, Cl(4) is bonded to four equivalent K(1) and one Re(1) atom to form a mixture of distorted edge, face, and corner-sharing ClK4Re square pyramids. is represented by the CIF card [CIF]
data_K2ReCl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.967
_cell_length_b   10.185
_cell_length_c   13.547
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   961.278
_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  0.820  0.999  0.360  1.0
  K  K1  1  0.180  0.499  0.640  1.0
  K  K2  1  0.320  0.001  0.140  1.0
  K  K3  1  0.680  0.999  0.860  1.0
  K  K4  1  0.320  0.499  0.140  1.0
  K  K5  1  0.680  0.501  0.860  1.0
  K  K6  1  0.820  0.501  0.360  1.0
  K  K7  1  0.180  0.001  0.640  1.0
  Re  Re8  1  0.824  0.750  0.098  1.0
  Re  Re9  1  0.176  0.250  0.902  1.0
  Re  Re10  1  0.324  0.250  0.402  1.0
  Re  Re11  1  0.676  0.750  0.598  1.0
  Cl  Cl12  1  0.304  0.016  0.389  1.0
  Cl  Cl13  1  0.696  0.984  0.611  1.0
  Cl  Cl14  1  0.196  0.484  0.889  1.0
  Cl  Cl15  1  0.196  0.016  0.889  1.0
  Cl  Cl16  1  0.432  0.750  0.722  1.0
  Cl  Cl17  1  0.099  0.250  0.255  1.0
  Cl  Cl18  1  0.804  0.516  0.111  1.0
  Cl  Cl19  1  0.068  0.750  0.222  1.0
  Cl  Cl20  1  0.804  0.984  0.111  1.0
  Cl  Cl21  1  0.031  0.250  0.496  1.0
  Cl  Cl22  1  0.469  0.250  0.996  1.0
  Cl  Cl23  1  0.969  0.750  0.504  1.0
  Cl  Cl24  1  0.901  0.750  0.745  1.0
  Cl  Cl25  1  0.401  0.250  0.755  1.0
  Cl  Cl26  1  0.531  0.750  0.004  1.0
  Cl  Cl27  1  0.599  0.750  0.245  1.0
  Cl  Cl28  1  0.568  0.250  0.278  1.0
  Cl  Cl29  1  0.932  0.250  0.778  1.0
  Cl  Cl30  1  0.696  0.516  0.611  1.0
  Cl  Cl31  1  0.304  0.484  0.389  1.0
  O  O32  1  0.026  0.250  0.001  1.0
  O  O33  1  0.474  0.250  0.501  1.0
  O  O34  1  0.526  0.750  0.499  1.0
  O  O35  1  0.974  0.750  0.999  1.0
[/CIF]
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The compound described by K2ReOCl5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 10-coordinate geometry to two equivalent Cl(2), two equivalent Cl(3), two equivalent Cl(4), and four equivalent Cl(1) atoms. Re(1) is bonded in a distorted octahedral geometry to one O(1), one Cl(2), one Cl(3), one Cl(4), and two equivalent Cl(1) atoms. O(1) is bonded in a single-bond geometry to one Re(1) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Re(1) atom. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Re(1) atom. In the third Cl site, Cl(3) is bonded to four equivalent K(1) and one Re(1) atom to form a mixture of distorted edge, face, and corner-sharing ClK4Re square pyramids. In the fourth Cl site, Cl(4) is bonded to four equivalent K(1) and one Re(1) atom to form a mixture of distorted edge, face, and corner-sharing ClK4Re square pyramids. is represented by the CIF card [CIF]
data_K2ReCl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.967
_cell_length_b   10.185
_cell_length_c   13.547
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   961.278
_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  0.820  0.999  0.360  1.0
  K  K1  1  0.180  0.499  0.640  1.0
  K  K2  1  0.320  0.001  0.140  1.0
  K  K3  1  0.680  0.999  0.860  1.0
  K  K4  1  0.320  0.499  0.140  1.0
  K  K5  1  0.680  0.501  0.860  1.0
  K  K6  1  0.820  0.501  0.360  1.0
  K  K7  1  0.180  0.001  0.640  1.0
  Re  Re8  1  0.824  0.750  0.098  1.0
  Re  Re9  1  0.176  0.250  0.902  1.0
  Re  Re10  1  0.324  0.250  0.402  1.0
  Re  Re11  1  0.676  0.750  0.598  1.0
  Cl  Cl12  1  0.304  0.016  0.389  1.0
  Cl  Cl13  1  0.696  0.984  0.611  1.0
  Cl  Cl14  1  0.196  0.484  0.889  1.0
  Cl  Cl15  1  0.196  0.016  0.889  1.0
  Cl  Cl16  1  0.432  0.750  0.722  1.0
  Cl  Cl17  1  0.099  0.250  0.255  1.0
  Cl  Cl18  1  0.804  0.516  0.111  1.0
  Cl  Cl19  1  0.068  0.750  0.222  1.0
  Cl  Cl20  1  0.804  0.984  0.111  1.0
  Cl  Cl21  1  0.031  0.250  0.496  1.0
  Cl  Cl22  1  0.469  0.250  0.996  1.0
  Cl  Cl23  1  0.969  0.750  0.504  1.0
  Cl  Cl24  1  0.901  0.750  0.745  1.0
  Cl  Cl25  1  0.401  0.250  0.755  1.0
  Cl  Cl26  1  0.531  0.750  0.004  1.0
  Cl  Cl27  1  0.599  0.750  0.245  1.0
  Cl  Cl28  1  0.568  0.250  0.278  1.0
  Cl  Cl29  1  0.932  0.250  0.778  1.0
  Cl  Cl30  1  0.696  0.516  0.611  1.0
  Cl  Cl31  1  0.304  0.484  0.389  1.0
  O  O32  1  0.026  0.250  0.001  1.0
  O  O33  1  0.474  0.250  0.501  1.0
  O  O34  1  0.526  0.750  0.499  1.0
  O  O35  1  0.974  0.750  0.999  1.0
[/CIF]
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