The compound described by Zn2SnO4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with six equivalent Zn(2)O6 octahedra and corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the second Zn site, Zn(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. 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 Zn(1)O4 tetrahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Zn(1), two equivalent Zn(2), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OZn3Sn trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Zn(1), one Zn(2), and two equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_Zn2SnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.134
_cell_length_b   6.134
_cell_length_c   6.134
_cell_angle_alpha   121.380
_cell_angle_beta   118.748
_cell_angle_gamma   89.904
_symmetry_Int_Tables_number   1
_cell_volume   162.934
_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  0.891  0.141  0.750  1.0
  Zn  Zn1  1  0.109  0.859  0.250  1.0
  Zn  Zn2  1  0.500  0.500  0.500  1.0
  Zn  Zn3  1  0.500  0.000  0.000  1.0
  Sn  Sn4  1  0.000  0.500  0.500  1.0
  Sn  Sn5  1  0.500  0.500  1.000  1.0
  O  O6  1  0.252  0.735  0.517  1.0
  O  O7  1  0.718  0.735  0.983  1.0
  O  O8  1  0.251  0.267  0.517  1.0
  O  O9  1  0.251  0.734  0.983  1.0
  O  O10  1  0.749  0.266  0.017  1.0
  O  O11  1  0.749  0.733  0.483  1.0
  O  O12  1  0.282  0.265  0.017  1.0
  O  O13  1  0.748  0.265  0.483  1.0
[/CIF]
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The compound described by Zn2SnO4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with six equivalent Zn(2)O6 octahedra and corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the second Zn site, Zn(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. 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 Zn(1)O4 tetrahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Zn(1), two equivalent Zn(2), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OZn3Sn trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Zn(1), one Zn(2), and two equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_Zn2SnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.134
_cell_length_b   6.134
_cell_length_c   6.134
_cell_angle_alpha   121.380
_cell_angle_beta   118.748
_cell_angle_gamma   89.904
_symmetry_Int_Tables_number   1
_cell_volume   162.934
_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  0.891  0.141  0.750  1.0
  Zn  Zn1  1  0.109  0.859  0.250  1.0
  Zn  Zn2  1  0.500  0.500  0.500  1.0
  Zn  Zn3  1  0.500  0.000  0.000  1.0
  Sn  Sn4  1  0.000  0.500  0.500  1.0
  Sn  Sn5  1  0.500  0.500  1.000  1.0
  O  O6  1  0.252  0.735  0.517  1.0
  O  O7  1  0.718  0.735  0.983  1.0
  O  O8  1  0.251  0.267  0.517  1.0
  O  O9  1  0.251  0.734  0.983  1.0
  O  O10  1  0.749  0.266  0.017  1.0
  O  O11  1  0.749  0.733  0.483  1.0
  O  O12  1  0.282  0.265  0.017  1.0
  O  O13  1  0.748  0.265  0.483  1.0
[/CIF]
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