The material described by K4Re2OCl10 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a body-centered cubic geometry to eight equivalent Cl(1) atoms. In the second K site, K(2) is bonded to four equivalent Cl(2) and eight equivalent Cl(1) atoms to form KCl12 cuboctahedra that share corners with four equivalent K(2)Cl12 cuboctahedra, faces with four equivalent K(2)Cl12 cuboctahedra, and faces with four equivalent Re(1)Cl5O octahedra. Re(1) is bonded to one O(1), one Cl(2), and four equivalent Cl(1) atoms to form ReCl5O octahedra that share  a cornercorner with one Re(1)Cl5O octahedra and faces with four equivalent K(2)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a linear geometry to two equivalent Re(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent K(1), two equivalent K(2), and one Re(1) atom to form a mixture of distorted face, corner, and edge-sharing ClK4Re square pyramids. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to four equivalent K(2) and one Re(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K4Re2Cl10O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.300
_cell_length_b   10.300
_cell_length_c   10.300
_cell_angle_alpha   139.235
_cell_angle_beta   139.235
_cell_angle_gamma   59.016
_symmetry_Int_Tables_number   1
_cell_volume   461.371
_cell_formula_units_Z   1
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  0.500  0.000  0.500  1.0
  K  K1  1  0.250  0.750  0.500  1.0
  K  K2  1  0.750  0.250  0.500  1.0
  K  K3  1  0.000  0.500  0.500  1.0
  Re  Re4  1  0.104  0.104  0.000  1.0
  Re  Re5  1  0.896  0.896  0.000  1.0
  Cl  Cl6  1  0.125  0.651  0.000  1.0
  Cl  Cl7  1  0.239  0.239  0.000  1.0
  Cl  Cl8  1  0.651  0.125  0.000  1.0
  Cl  Cl9  1  0.875  0.875  0.527  1.0
  Cl  Cl10  1  0.125  0.125  0.473  1.0
  Cl  Cl11  1  0.875  0.349  0.000  1.0
  Cl  Cl12  1  0.349  0.349  0.473  1.0
  Cl  Cl13  1  0.761  0.761  0.000  1.0
  Cl  Cl14  1  0.651  0.651  0.527  1.0
  Cl  Cl15  1  0.349  0.875  0.000  1.0
  O  O16  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by K4Re2OCl10 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a body-centered cubic geometry to eight equivalent Cl(1) atoms. In the second K site, K(2) is bonded to four equivalent Cl(2) and eight equivalent Cl(1) atoms to form KCl12 cuboctahedra that share corners with four equivalent K(2)Cl12 cuboctahedra, faces with four equivalent K(2)Cl12 cuboctahedra, and faces with four equivalent Re(1)Cl5O octahedra. Re(1) is bonded to one O(1), one Cl(2), and four equivalent Cl(1) atoms to form ReCl5O octahedra that share  a cornercorner with one Re(1)Cl5O octahedra and faces with four equivalent K(2)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a linear geometry to two equivalent Re(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent K(1), two equivalent K(2), and one Re(1) atom to form a mixture of distorted face, corner, and edge-sharing ClK4Re square pyramids. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to four equivalent K(2) and one Re(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K4Re2Cl10O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.300
_cell_length_b   10.300
_cell_length_c   10.300
_cell_angle_alpha   139.235
_cell_angle_beta   139.235
_cell_angle_gamma   59.016
_symmetry_Int_Tables_number   1
_cell_volume   461.371
_cell_formula_units_Z   1
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  0.500  0.000  0.500  1.0
  K  K1  1  0.250  0.750  0.500  1.0
  K  K2  1  0.750  0.250  0.500  1.0
  K  K3  1  0.000  0.500  0.500  1.0
  Re  Re4  1  0.104  0.104  0.000  1.0
  Re  Re5  1  0.896  0.896  0.000  1.0
  Cl  Cl6  1  0.125  0.651  0.000  1.0
  Cl  Cl7  1  0.239  0.239  0.000  1.0
  Cl  Cl8  1  0.651  0.125  0.000  1.0
  Cl  Cl9  1  0.875  0.875  0.527  1.0
  Cl  Cl10  1  0.125  0.125  0.473  1.0
  Cl  Cl11  1  0.875  0.349  0.000  1.0
  Cl  Cl12  1  0.349  0.349  0.473  1.0
  Cl  Cl13  1  0.761  0.761  0.000  1.0
  Cl  Cl14  1  0.651  0.651  0.527  1.0
  Cl  Cl15  1  0.349  0.875  0.000  1.0
  O  O16  1  0.000  0.000  0.000  1.0
[/CIF]
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