The structure described by ZnSnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Zn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with eight equivalent Sn(1)O6 octahedra and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-83°. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zn(1) and two equivalent Sn(1) atoms to form distorted corner-sharing OZn2Sn2 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(1) and two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_ZnSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.381
_cell_length_b   5.408
_cell_length_c   7.940
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   231.031
_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  0.006  0.030  0.750  1.0
  Zn  Zn1  1  0.506  0.470  0.250  1.0
  Zn  Zn2  1  0.494  0.530  0.750  1.0
  Zn  Zn3  1  0.994  0.970  0.250  1.0
  Sn  Sn4  1  0.500  0.000  0.500  1.0
  Sn  Sn5  1  0.000  0.500  0.500  1.0
  Sn  Sn6  1  0.000  0.500  0.000  1.0
  Sn  Sn7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.872  0.595  0.250  1.0
  O  O9  1  0.372  0.905  0.750  1.0
  O  O10  1  0.628  0.095  0.250  1.0
  O  O11  1  0.128  0.405  0.750  1.0
  O  O12  1  0.670  0.325  0.929  1.0
  O  O13  1  0.170  0.175  0.071  1.0
  O  O14  1  0.830  0.825  0.571  1.0
  O  O15  1  0.330  0.675  0.429  1.0
  O  O16  1  0.670  0.325  0.571  1.0
  O  O17  1  0.170  0.175  0.429  1.0
  O  O18  1  0.330  0.675  0.071  1.0
  O  O19  1  0.830  0.825  0.929  1.0
[/CIF]
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The structure described by ZnSnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Zn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with eight equivalent Sn(1)O6 octahedra and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-83°. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zn(1) and two equivalent Sn(1) atoms to form distorted corner-sharing OZn2Sn2 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(1) and two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_ZnSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.381
_cell_length_b   5.408
_cell_length_c   7.940
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   231.031
_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  0.006  0.030  0.750  1.0
  Zn  Zn1  1  0.506  0.470  0.250  1.0
  Zn  Zn2  1  0.494  0.530  0.750  1.0
  Zn  Zn3  1  0.994  0.970  0.250  1.0
  Sn  Sn4  1  0.500  0.000  0.500  1.0
  Sn  Sn5  1  0.000  0.500  0.500  1.0
  Sn  Sn6  1  0.000  0.500  0.000  1.0
  Sn  Sn7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.872  0.595  0.250  1.0
  O  O9  1  0.372  0.905  0.750  1.0
  O  O10  1  0.628  0.095  0.250  1.0
  O  O11  1  0.128  0.405  0.750  1.0
  O  O12  1  0.670  0.325  0.929  1.0
  O  O13  1  0.170  0.175  0.071  1.0
  O  O14  1  0.830  0.825  0.571  1.0
  O  O15  1  0.330  0.675  0.429  1.0
  O  O16  1  0.670  0.325  0.571  1.0
  O  O17  1  0.170  0.175  0.429  1.0
  O  O18  1  0.330  0.675  0.071  1.0
  O  O19  1  0.830  0.825  0.929  1.0
[/CIF]
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