The material structure described by ZnSnO2 crystallizes in the triclinic P-1 space group. 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(3) atoms to form corner-sharing ZnO4 tetrahedra. In the second Zn site, Zn(2) is bonded in a distorted see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted T-shaped geometry to one O(3) and two equivalent O(1) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zn(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Zn(2) and two equivalent Sn(2) atoms. In the third O site, O(3) is bonded to one Zn(2), two equivalent Zn(1), and one Sn(1) atom to form corner-sharing OZn3Sn tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Zn(1), one Zn(2), and two equivalent Sn(2) atoms. is represented by the CIF file [CIF]
data_ZnSnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.374
_cell_length_b   8.382
_cell_length_c   9.273
_cell_angle_alpha   87.627
_cell_angle_beta   80.851
_cell_angle_gamma   85.089
_symmetry_Int_Tables_number   1
_cell_volume   257.876
_cell_formula_units_Z   4
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  0.115  0.528  0.289  1.0
  Zn  Zn1  1  0.885  0.472  0.711  1.0
  Zn  Zn2  1  0.708  0.262  0.093  1.0
  Zn  Zn3  1  0.292  0.738  0.907  1.0
  Sn  Sn4  1  0.351  0.787  0.550  1.0
  Sn  Sn5  1  0.642  0.873  0.164  1.0
  Sn  Sn6  1  0.358  0.127  0.836  1.0
  Sn  Sn7  1  0.649  0.213  0.450  1.0
  O  O8  1  0.082  0.335  0.538  1.0
  O  O9  1  0.757  0.867  0.931  1.0
  O  O10  1  0.243  0.133  0.069  1.0
  O  O11  1  0.918  0.665  0.462  1.0
  O  O12  1  0.349  0.605  0.733  1.0
  O  O13  1  0.209  0.700  0.130  1.0
  O  O14  1  0.651  0.395  0.267  1.0
  O  O15  1  0.791  0.300  0.870  1.0
[/CIF]
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The material structure described by ZnSnO2 crystallizes in the triclinic P-1 space group. 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(3) atoms to form corner-sharing ZnO4 tetrahedra. In the second Zn site, Zn(2) is bonded in a distorted see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted T-shaped geometry to one O(3) and two equivalent O(1) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zn(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Zn(2) and two equivalent Sn(2) atoms. In the third O site, O(3) is bonded to one Zn(2), two equivalent Zn(1), and one Sn(1) atom to form corner-sharing OZn3Sn tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Zn(1), one Zn(2), and two equivalent Sn(2) atoms. is represented by the CIF file [CIF]
data_ZnSnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.374
_cell_length_b   8.382
_cell_length_c   9.273
_cell_angle_alpha   87.627
_cell_angle_beta   80.851
_cell_angle_gamma   85.089
_symmetry_Int_Tables_number   1
_cell_volume   257.876
_cell_formula_units_Z   4
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  0.115  0.528  0.289  1.0
  Zn  Zn1  1  0.885  0.472  0.711  1.0
  Zn  Zn2  1  0.708  0.262  0.093  1.0
  Zn  Zn3  1  0.292  0.738  0.907  1.0
  Sn  Sn4  1  0.351  0.787  0.550  1.0
  Sn  Sn5  1  0.642  0.873  0.164  1.0
  Sn  Sn6  1  0.358  0.127  0.836  1.0
  Sn  Sn7  1  0.649  0.213  0.450  1.0
  O  O8  1  0.082  0.335  0.538  1.0
  O  O9  1  0.757  0.867  0.931  1.0
  O  O10  1  0.243  0.133  0.069  1.0
  O  O11  1  0.918  0.665  0.462  1.0
  O  O12  1  0.349  0.605  0.733  1.0
  O  O13  1  0.209  0.700  0.130  1.0
  O  O14  1  0.651  0.395  0.267  1.0
  O  O15  1  0.791  0.300  0.870  1.0
[/CIF]
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