The compound described by Zn2Mo3O8 crystallizes in the hexagonal P6_3mc space group. Mo(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form ZnO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with nine equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Mo(1) atoms. In the second O site, O(2) is bonded to three equivalent Mo(1) and one Zn(2) atom to form a mixture of distorted edge and corner-sharing OZnMo3 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Mo(1), one Zn(1), and one Zn(2) atom to form distorted OZn2Mo2 tetrahedra that share corners with two equivalent O(3)Zn2Mo2 tetrahedra,  a cornercorner with one O(2)ZnMo3 trigonal pyramid, edges with two equivalent O(3)Zn2Mo2 tetrahedra, and  an edgeedge with one O(2)ZnMo3 trigonal pyramid. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_Zn2Mo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.287
_cell_length_b   6.287
_cell_length_c   9.558
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   327.199
_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  0.333  0.667  0.788  1.0
  Zn  Zn1  1  0.667  0.333  0.288  1.0
  Zn  Zn2  1  0.667  0.333  0.905  1.0
  Zn  Zn3  1  0.333  0.667  0.405  1.0
  Mo  Mo4  1  0.164  0.328  0.079  1.0
  Mo  Mo5  1  0.328  0.164  0.579  1.0
  Mo  Mo6  1  0.164  0.836  0.079  1.0
  Mo  Mo7  1  0.836  0.164  0.579  1.0
  Mo  Mo8  1  0.836  0.672  0.579  1.0
  Mo  Mo9  1  0.672  0.836  0.079  1.0
  O  O10  1  0.000  0.000  0.467  1.0
  O  O11  1  0.000  0.000  0.967  1.0
  O  O12  1  0.667  0.333  0.696  1.0
  O  O13  1  0.333  0.667  0.196  1.0
  O  O14  1  0.518  0.037  0.454  1.0
  O  O15  1  0.482  0.518  0.954  1.0
  O  O16  1  0.037  0.518  0.954  1.0
  O  O17  1  0.963  0.482  0.454  1.0
  O  O18  1  0.518  0.482  0.454  1.0
  O  O19  1  0.482  0.963  0.954  1.0
  O  O20  1  0.833  0.167  0.175  1.0
  O  O21  1  0.666  0.833  0.675  1.0
  O  O22  1  0.167  0.334  0.675  1.0
  O  O23  1  0.167  0.833  0.675  1.0
  O  O24  1  0.334  0.167  0.175  1.0
  O  O25  1  0.833  0.666  0.175  1.0
[/CIF]
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The compound described by Zn2Mo3O8 crystallizes in the hexagonal P6_3mc space group. Mo(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form ZnO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with nine equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Mo(1) atoms. In the second O site, O(2) is bonded to three equivalent Mo(1) and one Zn(2) atom to form a mixture of distorted edge and corner-sharing OZnMo3 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Mo(1), one Zn(1), and one Zn(2) atom to form distorted OZn2Mo2 tetrahedra that share corners with two equivalent O(3)Zn2Mo2 tetrahedra,  a cornercorner with one O(2)ZnMo3 trigonal pyramid, edges with two equivalent O(3)Zn2Mo2 tetrahedra, and  an edgeedge with one O(2)ZnMo3 trigonal pyramid. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_Zn2Mo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.287
_cell_length_b   6.287
_cell_length_c   9.558
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   327.199
_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  0.333  0.667  0.788  1.0
  Zn  Zn1  1  0.667  0.333  0.288  1.0
  Zn  Zn2  1  0.667  0.333  0.905  1.0
  Zn  Zn3  1  0.333  0.667  0.405  1.0
  Mo  Mo4  1  0.164  0.328  0.079  1.0
  Mo  Mo5  1  0.328  0.164  0.579  1.0
  Mo  Mo6  1  0.164  0.836  0.079  1.0
  Mo  Mo7  1  0.836  0.164  0.579  1.0
  Mo  Mo8  1  0.836  0.672  0.579  1.0
  Mo  Mo9  1  0.672  0.836  0.079  1.0
  O  O10  1  0.000  0.000  0.467  1.0
  O  O11  1  0.000  0.000  0.967  1.0
  O  O12  1  0.667  0.333  0.696  1.0
  O  O13  1  0.333  0.667  0.196  1.0
  O  O14  1  0.518  0.037  0.454  1.0
  O  O15  1  0.482  0.518  0.954  1.0
  O  O16  1  0.037  0.518  0.954  1.0
  O  O17  1  0.963  0.482  0.454  1.0
  O  O18  1  0.518  0.482  0.454  1.0
  O  O19  1  0.482  0.963  0.954  1.0
  O  O20  1  0.833  0.167  0.175  1.0
  O  O21  1  0.666  0.833  0.675  1.0
  O  O22  1  0.167  0.334  0.675  1.0
  O  O23  1  0.167  0.833  0.675  1.0
  O  O24  1  0.334  0.167  0.175  1.0
  O  O25  1  0.833  0.666  0.175  1.0
[/CIF]
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