The material structure described by Zn2Sn3O8 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted ZnO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra, corners with three equivalent Zn(2)O4 trigonal pyramids, and edges with three equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Zn site, Zn(2) is bonded to one O(4) and three equivalent O(2) atoms to form ZnO4 trigonal pyramids that share corners with three equivalent Zn(1)O6 octahedra and corners with nine equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-65°. Sn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form SnO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Zn(2)O4 trigonal pyramids,  an edgeedge with one Zn(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. 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 to one Zn(1), one Zn(2), and two equivalent Sn(1) atoms to form distorted OZn2Sn2 tetrahedra that share corners with two equivalent O(2)Zn2Sn2 tetrahedra,  a cornercorner with one O(4)ZnSn3 trigonal pyramid, edges with two equivalent O(2)Zn2Sn2 tetrahedra, and  an edgeedge with one O(4)ZnSn3 trigonal pyramid. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded to one Zn(2) and three equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing OZnSn3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2Sn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.335
_cell_length_b   6.335
_cell_length_c   9.506
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   330.381
_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  0.667  0.333  0.040  1.0
  Zn  Zn1  1  0.333  0.667  0.540  1.0
  Zn  Zn2  1  0.667  0.333  0.405  1.0
  Zn  Zn3  1  0.333  0.667  0.905  1.0
  Sn  Sn4  1  0.672  0.836  0.245  1.0
  Sn  Sn5  1  0.836  0.164  0.745  1.0
  Sn  Sn6  1  0.164  0.328  0.245  1.0
  Sn  Sn7  1  0.836  0.672  0.745  1.0
  Sn  Sn8  1  0.328  0.164  0.745  1.0
  Sn  Sn9  1  0.164  0.836  0.245  1.0
  O  O10  1  0.834  0.166  0.140  1.0
  O  O11  1  0.667  0.834  0.640  1.0
  O  O12  1  0.166  0.333  0.640  1.0
  O  O13  1  0.834  0.667  0.140  1.0
  O  O14  1  0.333  0.166  0.140  1.0
  O  O15  1  0.166  0.834  0.640  1.0
  O  O16  1  0.516  0.484  0.870  1.0
  O  O17  1  0.033  0.516  0.370  1.0
  O  O18  1  0.484  0.967  0.370  1.0
  O  O19  1  0.516  0.033  0.870  1.0
  O  O20  1  0.000  0.000  0.358  1.0
  O  O21  1  0.000  0.000  0.858  1.0
  O  O22  1  0.333  0.667  0.127  1.0
  O  O23  1  0.967  0.484  0.870  1.0
  O  O24  1  0.484  0.516  0.370  1.0
  O  O25  1  0.667  0.333  0.627  1.0
[/CIF]
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The material structure described by Zn2Sn3O8 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted ZnO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra, corners with three equivalent Zn(2)O4 trigonal pyramids, and edges with three equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Zn site, Zn(2) is bonded to one O(4) and three equivalent O(2) atoms to form ZnO4 trigonal pyramids that share corners with three equivalent Zn(1)O6 octahedra and corners with nine equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-65°. Sn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form SnO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Zn(2)O4 trigonal pyramids,  an edgeedge with one Zn(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. 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 to one Zn(1), one Zn(2), and two equivalent Sn(1) atoms to form distorted OZn2Sn2 tetrahedra that share corners with two equivalent O(2)Zn2Sn2 tetrahedra,  a cornercorner with one O(4)ZnSn3 trigonal pyramid, edges with two equivalent O(2)Zn2Sn2 tetrahedra, and  an edgeedge with one O(4)ZnSn3 trigonal pyramid. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded to one Zn(2) and three equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing OZnSn3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2Sn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.335
_cell_length_b   6.335
_cell_length_c   9.506
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   330.381
_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  0.667  0.333  0.040  1.0
  Zn  Zn1  1  0.333  0.667  0.540  1.0
  Zn  Zn2  1  0.667  0.333  0.405  1.0
  Zn  Zn3  1  0.333  0.667  0.905  1.0
  Sn  Sn4  1  0.672  0.836  0.245  1.0
  Sn  Sn5  1  0.836  0.164  0.745  1.0
  Sn  Sn6  1  0.164  0.328  0.245  1.0
  Sn  Sn7  1  0.836  0.672  0.745  1.0
  Sn  Sn8  1  0.328  0.164  0.745  1.0
  Sn  Sn9  1  0.164  0.836  0.245  1.0
  O  O10  1  0.834  0.166  0.140  1.0
  O  O11  1  0.667  0.834  0.640  1.0
  O  O12  1  0.166  0.333  0.640  1.0
  O  O13  1  0.834  0.667  0.140  1.0
  O  O14  1  0.333  0.166  0.140  1.0
  O  O15  1  0.166  0.834  0.640  1.0
  O  O16  1  0.516  0.484  0.870  1.0
  O  O17  1  0.033  0.516  0.370  1.0
  O  O18  1  0.484  0.967  0.370  1.0
  O  O19  1  0.516  0.033  0.870  1.0
  O  O20  1  0.000  0.000  0.358  1.0
  O  O21  1  0.000  0.000  0.858  1.0
  O  O22  1  0.333  0.667  0.127  1.0
  O  O23  1  0.967  0.484  0.870  1.0
  O  O24  1  0.484  0.516  0.370  1.0
  O  O25  1  0.667  0.333  0.627  1.0
[/CIF]
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