The material structure described by KZn4SbO7 crystallizes in the hexagonal P6_3mc space group. K(1) is bonded to six equivalent O(2) and six equivalent O(3) atoms to form KO12 cuboctahedra that share corners with twelve equivalent K(1)O12 cuboctahedra, edges with three equivalent Zn(1)O4 tetrahedra, edges with nine equivalent Zn(2)O4 tetrahedra, and faces with four equivalent Sb(1)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1) and three equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra, corners with six equivalent Zn(2)O4 tetrahedra, and edges with three equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 52°. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra, and edges with three equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 49-53°. Sb(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form SbO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with nine equivalent Zn(2)O4 tetrahedra, and faces with four equivalent K(1)O12 cuboctahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to one Zn(1) and three equivalent Zn(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent K(1), one Zn(1), one Zn(2), and one Sb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Zn(2), and one Sb(1) atom. is represented by the CIF file [CIF]
data_KZn4SbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.238
_cell_length_b   6.238
_cell_length_c   10.106
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   340.534
_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  0.333  0.667  0.822  1.0
  K  K1  1  0.667  0.333  0.322  1.0
  Zn  Zn2  1  0.000  0.000  0.252  1.0
  Zn  Zn3  1  0.000  0.000  0.752  1.0
  Zn  Zn4  1  0.346  0.173  0.007  1.0
  Zn  Zn5  1  0.827  0.654  0.007  1.0
  Zn  Zn6  1  0.827  0.173  0.007  1.0
  Zn  Zn7  1  0.654  0.827  0.507  1.0
  Zn  Zn8  1  0.173  0.346  0.507  1.0
  Zn  Zn9  1  0.173  0.827  0.507  1.0
  Sb  Sb10  1  0.333  0.667  0.195  1.0
  Sb  Sb11  1  0.667  0.333  0.695  1.0
  O  O12  1  0.000  0.000  0.057  1.0
  O  O13  1  0.000  0.000  0.557  1.0
  O  O14  1  0.178  0.357  0.311  1.0
  O  O15  1  0.178  0.822  0.311  1.0
  O  O16  1  0.643  0.822  0.311  1.0
  O  O17  1  0.822  0.643  0.811  1.0
  O  O18  1  0.822  0.178  0.811  1.0
  O  O19  1  0.357  0.178  0.811  1.0
  O  O20  1  0.488  0.976  0.080  1.0
  O  O21  1  0.488  0.512  0.080  1.0
  O  O22  1  0.024  0.512  0.080  1.0
  O  O23  1  0.512  0.024  0.580  1.0
  O  O24  1  0.512  0.488  0.580  1.0
  O  O25  1  0.976  0.488  0.580  1.0
[/CIF]
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The material structure described by KZn4SbO7 crystallizes in the hexagonal P6_3mc space group. K(1) is bonded to six equivalent O(2) and six equivalent O(3) atoms to form KO12 cuboctahedra that share corners with twelve equivalent K(1)O12 cuboctahedra, edges with three equivalent Zn(1)O4 tetrahedra, edges with nine equivalent Zn(2)O4 tetrahedra, and faces with four equivalent Sb(1)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1) and three equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra, corners with six equivalent Zn(2)O4 tetrahedra, and edges with three equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 52°. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra, and edges with three equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 49-53°. Sb(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form SbO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with nine equivalent Zn(2)O4 tetrahedra, and faces with four equivalent K(1)O12 cuboctahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to one Zn(1) and three equivalent Zn(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent K(1), one Zn(1), one Zn(2), and one Sb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Zn(2), and one Sb(1) atom. is represented by the CIF file [CIF]
data_KZn4SbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.238
_cell_length_b   6.238
_cell_length_c   10.106
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   340.534
_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  0.333  0.667  0.822  1.0
  K  K1  1  0.667  0.333  0.322  1.0
  Zn  Zn2  1  0.000  0.000  0.252  1.0
  Zn  Zn3  1  0.000  0.000  0.752  1.0
  Zn  Zn4  1  0.346  0.173  0.007  1.0
  Zn  Zn5  1  0.827  0.654  0.007  1.0
  Zn  Zn6  1  0.827  0.173  0.007  1.0
  Zn  Zn7  1  0.654  0.827  0.507  1.0
  Zn  Zn8  1  0.173  0.346  0.507  1.0
  Zn  Zn9  1  0.173  0.827  0.507  1.0
  Sb  Sb10  1  0.333  0.667  0.195  1.0
  Sb  Sb11  1  0.667  0.333  0.695  1.0
  O  O12  1  0.000  0.000  0.057  1.0
  O  O13  1  0.000  0.000  0.557  1.0
  O  O14  1  0.178  0.357  0.311  1.0
  O  O15  1  0.178  0.822  0.311  1.0
  O  O16  1  0.643  0.822  0.311  1.0
  O  O17  1  0.822  0.643  0.811  1.0
  O  O18  1  0.822  0.178  0.811  1.0
  O  O19  1  0.357  0.178  0.811  1.0
  O  O20  1  0.488  0.976  0.080  1.0
  O  O21  1  0.488  0.512  0.080  1.0
  O  O22  1  0.024  0.512  0.080  1.0
  O  O23  1  0.512  0.024  0.580  1.0
  O  O24  1  0.512  0.488  0.580  1.0
  O  O25  1  0.976  0.488  0.580  1.0
[/CIF]
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