The material structure described by KZn4Sb3O12 crystallizes in the trigonal R3 space group. K(1) is bonded in a 12-coordinate geometry to three equivalent O(1), three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Zn(2)O6 octahedra, corners with five equivalent Sb(1)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-61°. In the second Zn site, Zn(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form ZnO6 octahedra that share corners with three equivalent Sb(1)O6 octahedra, corners with three equivalent Zn(1)O4 tetrahedra, and edges with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. Sb(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share  a cornercorner with one Zn(2)O6 octahedra, corners with five equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Zn(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to one K(1), one Zn(1), and two equivalent Sb(1) atoms. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one K(1), one Zn(1), one Zn(2), and one Sb(1) atom. In the third O site, O(2) is bonded to one K(1), two equivalent Zn(1), and one Sb(1) atom to form distorted corner-sharing OKZn2Sb trigonal pyramids. In the fourth O site, O(3) is bonded in a distorted T-shaped geometry to one K(1), one Zn(2), and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_KZn4(SbO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.843
_cell_length_b   6.843
_cell_length_c   6.843
_cell_angle_alpha   107.757
_cell_angle_beta   107.757
_cell_angle_gamma   107.757
_symmetry_Int_Tables_number   1
_cell_volume   261.202
_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  0.496  0.496  0.496  1.0
  Zn  Zn1  1  0.639  0.025  0.511  1.0
  Zn  Zn2  1  0.025  0.511  0.639  1.0
  Zn  Zn3  1  0.511  0.639  0.025  1.0
  Zn  Zn4  1  0.982  0.982  0.982  1.0
  Sb  Sb5  1  0.196  0.068  0.654  1.0
  Sb  Sb6  1  0.654  0.196  0.068  1.0
  Sb  Sb7  1  0.068  0.654  0.196  1.0
  O  O8  1  0.655  0.894  0.962  1.0
  O  O9  1  0.962  0.655  0.894  1.0
  O  O10  1  0.731  0.251  0.391  1.0
  O  O11  1  0.391  0.731  0.251  1.0
  O  O12  1  0.894  0.962  0.655  1.0
  O  O13  1  0.251  0.391  0.731  1.0
  O  O14  1  0.118  0.986  0.321  1.0
  O  O15  1  0.986  0.321  0.118  1.0
  O  O16  1  0.321  0.118  0.986  1.0
  O  O17  1  0.164  0.736  0.536  1.0
  O  O18  1  0.736  0.536  0.164  1.0
  O  O19  1  0.536  0.164  0.736  1.0
[/CIF]
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The material structure described by KZn4Sb3O12 crystallizes in the trigonal R3 space group. K(1) is bonded in a 12-coordinate geometry to three equivalent O(1), three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Zn(2)O6 octahedra, corners with five equivalent Sb(1)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-61°. In the second Zn site, Zn(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form ZnO6 octahedra that share corners with three equivalent Sb(1)O6 octahedra, corners with three equivalent Zn(1)O4 tetrahedra, and edges with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. Sb(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share  a cornercorner with one Zn(2)O6 octahedra, corners with five equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Zn(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to one K(1), one Zn(1), and two equivalent Sb(1) atoms. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one K(1), one Zn(1), one Zn(2), and one Sb(1) atom. In the third O site, O(2) is bonded to one K(1), two equivalent Zn(1), and one Sb(1) atom to form distorted corner-sharing OKZn2Sb trigonal pyramids. In the fourth O site, O(3) is bonded in a distorted T-shaped geometry to one K(1), one Zn(2), and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_KZn4(SbO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.843
_cell_length_b   6.843
_cell_length_c   6.843
_cell_angle_alpha   107.757
_cell_angle_beta   107.757
_cell_angle_gamma   107.757
_symmetry_Int_Tables_number   1
_cell_volume   261.202
_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  0.496  0.496  0.496  1.0
  Zn  Zn1  1  0.639  0.025  0.511  1.0
  Zn  Zn2  1  0.025  0.511  0.639  1.0
  Zn  Zn3  1  0.511  0.639  0.025  1.0
  Zn  Zn4  1  0.982  0.982  0.982  1.0
  Sb  Sb5  1  0.196  0.068  0.654  1.0
  Sb  Sb6  1  0.654  0.196  0.068  1.0
  Sb  Sb7  1  0.068  0.654  0.196  1.0
  O  O8  1  0.655  0.894  0.962  1.0
  O  O9  1  0.962  0.655  0.894  1.0
  O  O10  1  0.731  0.251  0.391  1.0
  O  O11  1  0.391  0.731  0.251  1.0
  O  O12  1  0.894  0.962  0.655  1.0
  O  O13  1  0.251  0.391  0.731  1.0
  O  O14  1  0.118  0.986  0.321  1.0
  O  O15  1  0.986  0.321  0.118  1.0
  O  O16  1  0.321  0.118  0.986  1.0
  O  O17  1  0.164  0.736  0.536  1.0
  O  O18  1  0.736  0.536  0.164  1.0
  O  O19  1  0.536  0.164  0.736  1.0
[/CIF]
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