The crystal structure described by K2Os(OCl2)2 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(1) is bonded in a body-centered cubic geometry to eight equivalent Cl(1) atoms. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a distorted octahedral geometry to two equivalent O(1) and four equivalent Cl(1) atoms. In the second Os site, Os(1) is bonded in a distorted octahedral geometry to two equivalent O(1) and four equivalent Cl(1) atoms. O(1) is bonded in a single-bond geometry to one Os(1) atom. Cl(1) is bonded to four K(1,1) and one Os(1) atom to form a mixture of corner, face, and edge-sharing ClK4Os square pyramids. is represented by the CIF card [CIF]
data_K2Os(Cl2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.739
_cell_length_b   6.739
_cell_length_c   6.739
_cell_angle_alpha   115.159
_cell_angle_beta   115.159
_cell_angle_gamma   98.612
_symmetry_Int_Tables_number   1
_cell_volume   229.459
_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  0.750  0.250  0.500  1.0
  K  K1  1  0.250  0.750  0.500  1.0
  Os  Os2  1  0.000  0.000  0.000  1.0
  Cl  Cl3  1  0.764  0.764  0.527  1.0
  Cl  Cl4  1  0.236  0.236  0.473  1.0
  Cl  Cl5  1  0.236  0.764  0.000  1.0
  Cl  Cl6  1  0.764  0.236  0.000  1.0
  O  O7  1  0.800  0.800  0.000  1.0
  O  O8  1  0.200  0.200  0.000  1.0
[/CIF]
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The crystal structure described by K2Os(OCl2)2 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(1) is bonded in a body-centered cubic geometry to eight equivalent Cl(1) atoms. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a distorted octahedral geometry to two equivalent O(1) and four equivalent Cl(1) atoms. In the second Os site, Os(1) is bonded in a distorted octahedral geometry to two equivalent O(1) and four equivalent Cl(1) atoms. O(1) is bonded in a single-bond geometry to one Os(1) atom. Cl(1) is bonded to four K(1,1) and one Os(1) atom to form a mixture of corner, face, and edge-sharing ClK4Os square pyramids. is represented by the CIF card [CIF]
data_K2Os(Cl2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.739
_cell_length_b   6.739
_cell_length_c   6.739
_cell_angle_alpha   115.159
_cell_angle_beta   115.159
_cell_angle_gamma   98.612
_symmetry_Int_Tables_number   1
_cell_volume   229.459
_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  0.750  0.250  0.500  1.0
  K  K1  1  0.250  0.750  0.500  1.0
  Os  Os2  1  0.000  0.000  0.000  1.0
  Cl  Cl3  1  0.764  0.764  0.527  1.0
  Cl  Cl4  1  0.236  0.236  0.473  1.0
  Cl  Cl5  1  0.236  0.764  0.000  1.0
  Cl  Cl6  1  0.764  0.236  0.000  1.0
  O  O7  1  0.800  0.800  0.000  1.0
  O  O8  1  0.200  0.200  0.000  1.0
[/CIF]
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