The material structure described by ZnSn2O4 is Spinel structured and crystallizes in the trigonal R-3m space group. Zn(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing SnO6 octahedra. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Zn(1), one Sn(2), and two equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_Zn(SnO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.233
_cell_length_b   7.233
_cell_length_c   7.233
_cell_angle_alpha   53.290
_cell_angle_beta   53.290
_cell_angle_gamma   53.290
_symmetry_Int_Tables_number   1
_cell_volume   225.510
_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
  Zn  Zn0  1  0.088  0.088  0.088  1.0
  Zn  Zn1  1  0.912  0.912  0.912  1.0
  Sn  Sn2  1  0.500  0.500  0.000  1.0
  Sn  Sn3  1  0.500  0.500  0.500  1.0
  Sn  Sn4  1  0.500  0.000  0.500  1.0
  Sn  Sn5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.724  0.724  0.724  1.0
  O  O7  1  0.762  0.286  0.762  1.0
  O  O8  1  0.286  0.762  0.762  1.0
  O  O9  1  0.238  0.238  0.714  1.0
  O  O10  1  0.714  0.238  0.238  1.0
  O  O11  1  0.238  0.714  0.238  1.0
  O  O12  1  0.762  0.762  0.286  1.0
  O  O13  1  0.276  0.276  0.276  1.0
[/CIF]
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The material structure described by ZnSn2O4 is Spinel structured and crystallizes in the trigonal R-3m space group. Zn(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing SnO6 octahedra. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Zn(1), one Sn(2), and two equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_Zn(SnO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.233
_cell_length_b   7.233
_cell_length_c   7.233
_cell_angle_alpha   53.290
_cell_angle_beta   53.290
_cell_angle_gamma   53.290
_symmetry_Int_Tables_number   1
_cell_volume   225.510
_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
  Zn  Zn0  1  0.088  0.088  0.088  1.0
  Zn  Zn1  1  0.912  0.912  0.912  1.0
  Sn  Sn2  1  0.500  0.500  0.000  1.0
  Sn  Sn3  1  0.500  0.500  0.500  1.0
  Sn  Sn4  1  0.500  0.000  0.500  1.0
  Sn  Sn5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.724  0.724  0.724  1.0
  O  O7  1  0.762  0.286  0.762  1.0
  O  O8  1  0.286  0.762  0.762  1.0
  O  O9  1  0.238  0.238  0.714  1.0
  O  O10  1  0.714  0.238  0.238  1.0
  O  O11  1  0.238  0.714  0.238  1.0
  O  O12  1  0.762  0.762  0.286  1.0
  O  O13  1  0.276  0.276  0.276  1.0
[/CIF]
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