The material described by K3OCl crystallizes in the orthorhombic Amm2 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent Cl(2) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent Cl(1) atoms. In the third K site, K(3) is bonded in a distorted linear geometry to two equivalent O(1), two equivalent Cl(1), and two equivalent Cl(2) atoms. In the fourth K site, K(4) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent Cl(2) atoms. O(1) is bonded to one K(1), one K(4), two equivalent K(2), and two equivalent K(3) atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedral tilt angles range from 1-29°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted body-centered cubic geometry to four equivalent K(2) and four equivalent K(3) atoms. In the second Cl site, Cl(2) is bonded in a distorted body-centered cubic geometry to two equivalent K(1), two equivalent K(4), and four equivalent K(3) atoms. is represented by the CIF card [CIF]
data_K3ClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.243
_cell_length_b   10.082
_cell_length_c   7.138
_cell_angle_alpha   45.073
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.144
_cell_formula_units_Z   2
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  0.186  0.500  1.0
  K  K1  1  0.000  0.681  0.123  1.0
  K  K2  1  0.000  0.304  0.877  1.0
  K  K3  1  0.500  0.491  1.000  1.0
  K  K4  1  0.500  0.991  0.000  1.0
  K  K5  1  0.000  0.807  0.500  1.0
  Cl  Cl6  1  0.500  0.488  0.500  1.0
  Cl  Cl7  1  0.500  0.996  0.500  1.0
  O  O8  1  0.000  0.991  0.003  1.0
  O  O9  1  0.000  0.494  0.997  1.0
[/CIF]
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The material described by K3OCl crystallizes in the orthorhombic Amm2 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent Cl(2) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent Cl(1) atoms. In the third K site, K(3) is bonded in a distorted linear geometry to two equivalent O(1), two equivalent Cl(1), and two equivalent Cl(2) atoms. In the fourth K site, K(4) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent Cl(2) atoms. O(1) is bonded to one K(1), one K(4), two equivalent K(2), and two equivalent K(3) atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedral tilt angles range from 1-29°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted body-centered cubic geometry to four equivalent K(2) and four equivalent K(3) atoms. In the second Cl site, Cl(2) is bonded in a distorted body-centered cubic geometry to two equivalent K(1), two equivalent K(4), and four equivalent K(3) atoms. is represented by the CIF card [CIF]
data_K3ClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.243
_cell_length_b   10.082
_cell_length_c   7.138
_cell_angle_alpha   45.073
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.144
_cell_formula_units_Z   2
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  0.186  0.500  1.0
  K  K1  1  0.000  0.681  0.123  1.0
  K  K2  1  0.000  0.304  0.877  1.0
  K  K3  1  0.500  0.491  1.000  1.0
  K  K4  1  0.500  0.991  0.000  1.0
  K  K5  1  0.000  0.807  0.500  1.0
  Cl  Cl6  1  0.500  0.488  0.500  1.0
  Cl  Cl7  1  0.500  0.996  0.500  1.0
  O  O8  1  0.000  0.991  0.003  1.0
  O  O9  1  0.000  0.494  0.997  1.0
[/CIF]
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