The material structure described by CdZn2KB2O6F crystallizes in the trigonal P-31c space group. K(1) is bonded in a distorted q6 geometry to six equivalent O(1) and three equivalent F(1) atoms. Cd(1) is bonded to six equivalent O(1) atoms to form CdO6 octahedra that share corners with six equivalent Zn(1)O3F trigonal pyramids. Zn(1) is bonded to three equivalent O(1) and one F(1) atom to form ZnO3F trigonal pyramids that share corners with three equivalent Cd(1)O6 octahedra and  a cornercorner with one Zn(1)O3F trigonal pyramid. The corner-sharing octahedral tilt angles are 74°. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a 4-coordinate geometry to one K(1), one Cd(1), one Zn(1), and one B(1) atom. F(1) is bonded to three equivalent K(1) and two equivalent Zn(1) atoms to form distorted corner-sharing FK3Zn2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_KZn2CdB2O6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.093
_cell_length_b   5.093
_cell_length_c   15.413
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   346.173
_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  0.000  0.750  1.0
  K  K1  1  0.000  0.000  0.250  1.0
  Zn  Zn2  1  0.667  0.333  0.616  1.0
  Zn  Zn3  1  0.333  0.667  0.116  1.0
  Zn  Zn4  1  0.333  0.667  0.384  1.0
  Zn  Zn5  1  0.667  0.333  0.884  1.0
  Cd  Cd6  1  0.000  0.000  0.500  1.0
  Cd  Cd7  1  0.000  0.000  0.000  1.0
  B  B8  1  0.333  0.667  0.595  1.0
  B  B9  1  0.667  0.333  0.095  1.0
  B  B10  1  0.667  0.333  0.405  1.0
  B  B11  1  0.333  0.667  0.905  1.0
  O  O12  1  0.613  0.932  0.596  1.0
  O  O13  1  0.319  0.387  0.596  1.0
  O  O14  1  0.068  0.681  0.596  1.0
  O  O15  1  0.681  0.068  0.096  1.0
  O  O16  1  0.387  0.319  0.096  1.0
  O  O17  1  0.932  0.613  0.096  1.0
  O  O18  1  0.387  0.068  0.404  1.0
  O  O19  1  0.681  0.613  0.404  1.0
  O  O20  1  0.932  0.319  0.404  1.0
  O  O21  1  0.319  0.932  0.904  1.0
  O  O22  1  0.613  0.681  0.904  1.0
  O  O23  1  0.068  0.387  0.904  1.0
  F  F24  1  0.667  0.333  0.750  1.0
  F  F25  1  0.333  0.667  0.250  1.0
[/CIF]
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The material structure described by CdZn2KB2O6F crystallizes in the trigonal P-31c space group. K(1) is bonded in a distorted q6 geometry to six equivalent O(1) and three equivalent F(1) atoms. Cd(1) is bonded to six equivalent O(1) atoms to form CdO6 octahedra that share corners with six equivalent Zn(1)O3F trigonal pyramids. Zn(1) is bonded to three equivalent O(1) and one F(1) atom to form ZnO3F trigonal pyramids that share corners with three equivalent Cd(1)O6 octahedra and  a cornercorner with one Zn(1)O3F trigonal pyramid. The corner-sharing octahedral tilt angles are 74°. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a 4-coordinate geometry to one K(1), one Cd(1), one Zn(1), and one B(1) atom. F(1) is bonded to three equivalent K(1) and two equivalent Zn(1) atoms to form distorted corner-sharing FK3Zn2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_KZn2CdB2O6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.093
_cell_length_b   5.093
_cell_length_c   15.413
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   346.173
_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  0.000  0.750  1.0
  K  K1  1  0.000  0.000  0.250  1.0
  Zn  Zn2  1  0.667  0.333  0.616  1.0
  Zn  Zn3  1  0.333  0.667  0.116  1.0
  Zn  Zn4  1  0.333  0.667  0.384  1.0
  Zn  Zn5  1  0.667  0.333  0.884  1.0
  Cd  Cd6  1  0.000  0.000  0.500  1.0
  Cd  Cd7  1  0.000  0.000  0.000  1.0
  B  B8  1  0.333  0.667  0.595  1.0
  B  B9  1  0.667  0.333  0.095  1.0
  B  B10  1  0.667  0.333  0.405  1.0
  B  B11  1  0.333  0.667  0.905  1.0
  O  O12  1  0.613  0.932  0.596  1.0
  O  O13  1  0.319  0.387  0.596  1.0
  O  O14  1  0.068  0.681  0.596  1.0
  O  O15  1  0.681  0.068  0.096  1.0
  O  O16  1  0.387  0.319  0.096  1.0
  O  O17  1  0.932  0.613  0.096  1.0
  O  O18  1  0.387  0.068  0.404  1.0
  O  O19  1  0.681  0.613  0.404  1.0
  O  O20  1  0.932  0.319  0.404  1.0
  O  O21  1  0.319  0.932  0.904  1.0
  O  O22  1  0.613  0.681  0.904  1.0
  O  O23  1  0.068  0.387  0.904  1.0
  F  F24  1  0.667  0.333  0.750  1.0
  F  F25  1  0.333  0.667  0.250  1.0
[/CIF]
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