The crystal structure described by Zn2Sb3O8 crystallizes in the monoclinic C2/m space group. Zn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra and corners with six equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with four equivalent Sb(2)O6 octahedra. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zn(1) and two equivalent Sb(2) atoms. In the second O site, O(2) is bonded to one Zn(1), one Sb(1), and two equivalent Sb(2) atoms to form a mixture of distorted edge and corner-sharing OZnSb3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zn(1), one Sb(1), and one Sb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2Sb3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.282
_cell_length_b   6.282
_cell_length_c   5.623
_cell_angle_alpha   68.783
_cell_angle_beta   68.783
_cell_angle_gamma   63.867
_symmetry_Int_Tables_number   1
_cell_volume   180.208
_cell_formula_units_Z   1
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  0.328  0.328  0.657  1.0
  Zn  Zn1  1  0.672  0.672  0.343  1.0
  Sb  Sb2  1  0.000  0.000  0.500  1.0
  Sb  Sb3  1  0.267  0.733  0.000  1.0
  Sb  Sb4  1  0.733  0.267  0.000  1.0
  O  O5  1  0.615  0.615  0.758  1.0
  O  O6  1  0.385  0.385  0.242  1.0
  O  O7  1  0.118  0.118  0.779  1.0
  O  O8  1  0.882  0.882  0.221  1.0
  O  O9  1  0.636  0.149  0.779  1.0
  O  O10  1  0.149  0.636  0.779  1.0
  O  O11  1  0.851  0.364  0.221  1.0
  O  O12  1  0.364  0.851  0.221  1.0
[/CIF]
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The crystal structure described by Zn2Sb3O8 crystallizes in the monoclinic C2/m space group. Zn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra and corners with six equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with four equivalent Sb(2)O6 octahedra. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zn(1) and two equivalent Sb(2) atoms. In the second O site, O(2) is bonded to one Zn(1), one Sb(1), and two equivalent Sb(2) atoms to form a mixture of distorted edge and corner-sharing OZnSb3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zn(1), one Sb(1), and one Sb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2Sb3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.282
_cell_length_b   6.282
_cell_length_c   5.623
_cell_angle_alpha   68.783
_cell_angle_beta   68.783
_cell_angle_gamma   63.867
_symmetry_Int_Tables_number   1
_cell_volume   180.208
_cell_formula_units_Z   1
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  0.328  0.328  0.657  1.0
  Zn  Zn1  1  0.672  0.672  0.343  1.0
  Sb  Sb2  1  0.000  0.000  0.500  1.0
  Sb  Sb3  1  0.267  0.733  0.000  1.0
  Sb  Sb4  1  0.733  0.267  0.000  1.0
  O  O5  1  0.615  0.615  0.758  1.0
  O  O6  1  0.385  0.385  0.242  1.0
  O  O7  1  0.118  0.118  0.779  1.0
  O  O8  1  0.882  0.882  0.221  1.0
  O  O9  1  0.636  0.149  0.779  1.0
  O  O10  1  0.149  0.636  0.779  1.0
  O  O11  1  0.851  0.364  0.221  1.0
  O  O12  1  0.364  0.851  0.221  1.0
[/CIF]
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