The material described by Zn(SnO2)4 is beta indium sulfide-derived structured and crystallizes in the trigonal R-3m space group. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Sn(2)O6 octahedra and edges with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SnO6 octahedra that share edges with two equivalent Zn(1)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. In the second Sn site, Sn(2) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra and edges with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Zn(1), one Sn(2), and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_Zn(SnO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.419
_cell_length_b   6.419
_cell_length_c   6.419
_cell_angle_alpha   62.146
_cell_angle_beta   62.146
_cell_angle_gamma   62.146
_symmetry_Int_Tables_number   1
_cell_volume   196.022
_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
  Zn  Zn0  1  0.500  0.500  0.500  1.0
  Sn  Sn1  1  0.000  0.500  0.500  1.0
  Sn  Sn2  1  0.500  0.000  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.303  0.739  0.739  1.0
  O  O6  1  0.261  0.261  0.697  1.0
  O  O7  1  0.697  0.261  0.261  1.0
  O  O8  1  0.261  0.697  0.261  1.0
  O  O9  1  0.266  0.266  0.266  1.0
  O  O10  1  0.734  0.734  0.734  1.0
  O  O11  1  0.739  0.303  0.739  1.0
  O  O12  1  0.739  0.739  0.303  1.0
[/CIF]
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The material described by Zn(SnO2)4 is beta indium sulfide-derived structured and crystallizes in the trigonal R-3m space group. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Sn(2)O6 octahedra and edges with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SnO6 octahedra that share edges with two equivalent Zn(1)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. In the second Sn site, Sn(2) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra and edges with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Zn(1), one Sn(2), and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_Zn(SnO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.419
_cell_length_b   6.419
_cell_length_c   6.419
_cell_angle_alpha   62.146
_cell_angle_beta   62.146
_cell_angle_gamma   62.146
_symmetry_Int_Tables_number   1
_cell_volume   196.022
_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
  Zn  Zn0  1  0.500  0.500  0.500  1.0
  Sn  Sn1  1  0.000  0.500  0.500  1.0
  Sn  Sn2  1  0.500  0.000  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.303  0.739  0.739  1.0
  O  O6  1  0.261  0.261  0.697  1.0
  O  O7  1  0.697  0.261  0.261  1.0
  O  O8  1  0.261  0.697  0.261  1.0
  O  O9  1  0.266  0.266  0.266  1.0
  O  O10  1  0.734  0.734  0.734  1.0
  O  O11  1  0.739  0.303  0.739  1.0
  O  O12  1  0.739  0.739  0.303  1.0
[/CIF]
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