The compound described by ZnSnO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. Zn(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Sn(1) is bonded to six equivalent O(1) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 45°. O(1) is bonded to two equivalent Zn(1) and two equivalent Sn(1) atoms to form a mixture of distorted edge and corner-sharing OZn2Sn2 trigonal pyramids. is represented by the CIF file [CIF]
data_ZnSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.659
_cell_length_b   5.659
_cell_length_c   5.659
_cell_angle_alpha   56.428
_cell_angle_beta   56.428
_cell_angle_gamma   56.428
_symmetry_Int_Tables_number   1
_cell_volume   117.570
_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  0.716  0.716  0.716  1.0
  Zn  Zn1  1  0.216  0.216  0.216  1.0
  Sn  Sn2  1  0.998  0.998  0.998  1.0
  Sn  Sn3  1  0.498  0.498  0.498  1.0
  O  O4  1  0.787  0.107  0.393  1.0
  O  O5  1  0.107  0.393  0.787  1.0
  O  O6  1  0.393  0.787  0.107  1.0
  O  O7  1  0.287  0.893  0.607  1.0
  O  O8  1  0.607  0.287  0.893  1.0
  O  O9  1  0.893  0.607  0.287  1.0
[/CIF]
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The compound described by ZnSnO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. Zn(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Sn(1) is bonded to six equivalent O(1) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 45°. O(1) is bonded to two equivalent Zn(1) and two equivalent Sn(1) atoms to form a mixture of distorted edge and corner-sharing OZn2Sn2 trigonal pyramids. is represented by the CIF file [CIF]
data_ZnSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.659
_cell_length_b   5.659
_cell_length_c   5.659
_cell_angle_alpha   56.428
_cell_angle_beta   56.428
_cell_angle_gamma   56.428
_symmetry_Int_Tables_number   1
_cell_volume   117.570
_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  0.716  0.716  0.716  1.0
  Zn  Zn1  1  0.216  0.216  0.216  1.0
  Sn  Sn2  1  0.998  0.998  0.998  1.0
  Sn  Sn3  1  0.498  0.498  0.498  1.0
  O  O4  1  0.787  0.107  0.393  1.0
  O  O5  1  0.107  0.393  0.787  1.0
  O  O6  1  0.393  0.787  0.107  1.0
  O  O7  1  0.287  0.893  0.607  1.0
  O  O8  1  0.607  0.287  0.893  1.0
  O  O9  1  0.893  0.607  0.287  1.0
[/CIF]
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