The material described by KZn2BO3Cl2 crystallizes in the trigonal R32 space group. K(1) is bonded to six equivalent Cl(1) atoms to form KCl6 octahedra that share corners with six equivalent Zn(1)ClO3 tetrahedra and edges with six equivalent K(1)Cl6 octahedra. Zn(1) is bonded to three equivalent O(1) and one Cl(1) atom to form ZnClO3 tetrahedra that share corners with three equivalent K(1)Cl6 octahedra and corners with three equivalent Zn(1)ClO3 tetrahedra. The corner-sharing octahedral tilt angles are 63°. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one B(1) atom. Cl(1) is bonded to three equivalent K(1) and one Zn(1) atom to form a mixture of distorted corner and edge-sharing ClK3Zn tetrahedra. is represented by the CIF card [CIF]
data_KZn2BCl2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.514
_cell_length_b   9.514
_cell_length_c   9.514
_cell_angle_alpha   30.497
_cell_angle_beta   30.497
_cell_angle_gamma   30.497
_symmetry_Int_Tables_number   1
_cell_volume   196.598
_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  0.500  0.500  1.0
  Zn  Zn1  1  0.306  0.306  0.306  1.0
  Zn  Zn2  1  0.694  0.694  0.694  1.0
  B  B3  1  0.000  0.000  0.000  1.0
  Cl  Cl4  1  0.222  0.222  0.222  1.0
  Cl  Cl5  1  0.778  0.778  0.778  1.0
  O  O6  1  0.723  0.000  0.277  1.0
  O  O7  1  0.000  0.277  0.723  1.0
  O  O8  1  0.277  0.723  0.000  1.0
[/CIF]
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The material described by KZn2BO3Cl2 crystallizes in the trigonal R32 space group. K(1) is bonded to six equivalent Cl(1) atoms to form KCl6 octahedra that share corners with six equivalent Zn(1)ClO3 tetrahedra and edges with six equivalent K(1)Cl6 octahedra. Zn(1) is bonded to three equivalent O(1) and one Cl(1) atom to form ZnClO3 tetrahedra that share corners with three equivalent K(1)Cl6 octahedra and corners with three equivalent Zn(1)ClO3 tetrahedra. The corner-sharing octahedral tilt angles are 63°. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one B(1) atom. Cl(1) is bonded to three equivalent K(1) and one Zn(1) atom to form a mixture of distorted corner and edge-sharing ClK3Zn tetrahedra. is represented by the CIF card [CIF]
data_KZn2BCl2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.514
_cell_length_b   9.514
_cell_length_c   9.514
_cell_angle_alpha   30.497
_cell_angle_beta   30.497
_cell_angle_gamma   30.497
_symmetry_Int_Tables_number   1
_cell_volume   196.598
_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  0.500  0.500  1.0
  Zn  Zn1  1  0.306  0.306  0.306  1.0
  Zn  Zn2  1  0.694  0.694  0.694  1.0
  B  B3  1  0.000  0.000  0.000  1.0
  Cl  Cl4  1  0.222  0.222  0.222  1.0
  Cl  Cl5  1  0.778  0.778  0.778  1.0
  O  O6  1  0.723  0.000  0.277  1.0
  O  O7  1  0.000  0.277  0.723  1.0
  O  O8  1  0.277  0.723  0.000  1.0
[/CIF]
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