The structure described by K3OCl is (Cubic) Perovskite structured and crystallizes in the monoclinic Pm space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Cl(1) atoms. In the second K site, K(2) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Cl(1) atoms. In the third K site, K(3) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Cl(1) atoms. O(1) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent K(3) atoms to form OK6 octahedra that share corners with six equivalent O(1)K6 octahedra and faces with eight equivalent Cl(1)K12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-8°. Cl(1) is bonded to four equivalent K(1), four equivalent K(2), and four equivalent K(3) atoms to form distorted ClK12 cuboctahedra that share corners with twelve equivalent Cl(1)K12 cuboctahedra, faces with six equivalent Cl(1)K12 cuboctahedra, and faces with eight equivalent O(1)K6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3ClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.137
_cell_length_b   5.147
_cell_length_c   5.144
_cell_angle_alpha   89.544
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   135.988
_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  0.000  0.500  0.041  1.0
  K  K1  1  0.500  0.031  0.003  1.0
  K  K2  1  0.000  0.971  0.516  1.0
  Cl  Cl3  1  0.500  0.498  0.498  1.0
  O  O4  1  0.000  1.000  0.014  1.0
[/CIF]
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The structure described by K3OCl is (Cubic) Perovskite structured and crystallizes in the monoclinic Pm space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Cl(1) atoms. In the second K site, K(2) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Cl(1) atoms. In the third K site, K(3) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Cl(1) atoms. O(1) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent K(3) atoms to form OK6 octahedra that share corners with six equivalent O(1)K6 octahedra and faces with eight equivalent Cl(1)K12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-8°. Cl(1) is bonded to four equivalent K(1), four equivalent K(2), and four equivalent K(3) atoms to form distorted ClK12 cuboctahedra that share corners with twelve equivalent Cl(1)K12 cuboctahedra, faces with six equivalent Cl(1)K12 cuboctahedra, and faces with eight equivalent O(1)K6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3ClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.137
_cell_length_b   5.147
_cell_length_c   5.144
_cell_angle_alpha   89.544
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   135.988
_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  0.000  0.500  0.041  1.0
  K  K1  1  0.500  0.031  0.003  1.0
  K  K2  1  0.000  0.971  0.516  1.0
  Cl  Cl3  1  0.500  0.498  0.498  1.0
  O  O4  1  0.000  1.000  0.014  1.0
[/CIF]
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