The structure described by Zn3Mo2O9 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), and two equivalent O(6) atoms to form MoO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra,  a cornercorner with one Zn(3)O5 trigonal bipyramid, and corners with three equivalent Zn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 45°. In the second Mo site, Mo(2) is bonded to one O(4), one O(5), and two equivalent O(3) atoms to form MoO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O5 trigonal bipyramid, and corners with three equivalent Zn(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form ZnO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, edges with two equivalent Zn(2)O5 trigonal bipyramids, and edges with two equivalent Zn(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In the second Zn site, Zn(2) is bonded to one O(2), one O(4), one O(7), and two equivalent O(6) atoms to form ZnO5 trigonal bipyramids that share  a cornercorner with one Mo(2)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra,  a cornercorner with one Zn(3)O5 trigonal bipyramid, and edges with two equivalent Zn(1)O6 octahedra. In the third Zn site, Zn(3) is bonded to one O(1), one O(5), one O(7), and two equivalent O(3) atoms to form ZnO5 trigonal bipyramids that share  a cornercorner with one Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra,  a cornercorner with one Zn(2)O5 trigonal bipyramid, and edges with two equivalent Zn(1)O6 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mo(1) and one Zn(3) atom. In the second O site, O(2) is bonded in a linear geometry to one Mo(1) and one Zn(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mo(2), one Zn(1), and one Zn(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(2) and one Zn(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(2) and one Zn(3) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mo(1), one Zn(1), and one Zn(2) atom. In the seventh O site, O(7) is bonded to one Zn(2), one Zn(3), and two equivalent Zn(1) atoms to form corner-sharing OZn4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn3Mo2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.103
_cell_length_b   7.758
_cell_length_c   8.406
_cell_angle_alpha   62.247
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   409.931
_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  0.000  0.500  0.500  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Zn  Zn2  1  0.250  0.647  0.705  1.0
  Zn  Zn3  1  0.750  0.353  0.295  1.0
  Zn  Zn4  1  0.250  0.843  0.263  1.0
  Zn  Zn5  1  0.750  0.157  0.737  1.0
  Mo  Mo6  1  0.250  0.348  0.199  1.0
  Mo  Mo7  1  0.750  0.652  0.801  1.0
  Mo  Mo8  1  0.250  0.053  0.781  1.0
  Mo  Mo9  1  0.750  0.947  0.219  1.0
  O  O10  1  0.250  0.106  0.235  1.0
  O  O11  1  0.750  0.894  0.765  1.0
  O  O12  1  0.250  0.502  0.967  1.0
  O  O13  1  0.750  0.498  0.033  1.0
  O  O14  1  0.048  0.206  0.721  1.0
  O  O15  1  0.548  0.794  0.279  1.0
  O  O16  1  0.952  0.794  0.279  1.0
  O  O17  1  0.452  0.206  0.721  1.0
  O  O18  1  0.250  0.918  0.661  1.0
  O  O19  1  0.750  0.082  0.339  1.0
  O  O20  1  0.250  0.893  0.012  1.0
  O  O21  1  0.750  0.107  0.988  1.0
  O  O22  1  0.049  0.392  0.300  1.0
  O  O23  1  0.549  0.608  0.700  1.0
  O  O24  1  0.951  0.608  0.700  1.0
  O  O25  1  0.451  0.392  0.300  1.0
  O  O26  1  0.250  0.604  0.493  1.0
  O  O27  1  0.750  0.396  0.507  1.0
[/CIF]
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The structure described by Zn3Mo2O9 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), and two equivalent O(6) atoms to form MoO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra,  a cornercorner with one Zn(3)O5 trigonal bipyramid, and corners with three equivalent Zn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 45°. In the second Mo site, Mo(2) is bonded to one O(4), one O(5), and two equivalent O(3) atoms to form MoO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O5 trigonal bipyramid, and corners with three equivalent Zn(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form ZnO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, edges with two equivalent Zn(2)O5 trigonal bipyramids, and edges with two equivalent Zn(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In the second Zn site, Zn(2) is bonded to one O(2), one O(4), one O(7), and two equivalent O(6) atoms to form ZnO5 trigonal bipyramids that share  a cornercorner with one Mo(2)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra,  a cornercorner with one Zn(3)O5 trigonal bipyramid, and edges with two equivalent Zn(1)O6 octahedra. In the third Zn site, Zn(3) is bonded to one O(1), one O(5), one O(7), and two equivalent O(3) atoms to form ZnO5 trigonal bipyramids that share  a cornercorner with one Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra,  a cornercorner with one Zn(2)O5 trigonal bipyramid, and edges with two equivalent Zn(1)O6 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mo(1) and one Zn(3) atom. In the second O site, O(2) is bonded in a linear geometry to one Mo(1) and one Zn(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mo(2), one Zn(1), and one Zn(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(2) and one Zn(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(2) and one Zn(3) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mo(1), one Zn(1), and one Zn(2) atom. In the seventh O site, O(7) is bonded to one Zn(2), one Zn(3), and two equivalent Zn(1) atoms to form corner-sharing OZn4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn3Mo2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.103
_cell_length_b   7.758
_cell_length_c   8.406
_cell_angle_alpha   62.247
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   409.931
_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  0.000  0.500  0.500  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Zn  Zn2  1  0.250  0.647  0.705  1.0
  Zn  Zn3  1  0.750  0.353  0.295  1.0
  Zn  Zn4  1  0.250  0.843  0.263  1.0
  Zn  Zn5  1  0.750  0.157  0.737  1.0
  Mo  Mo6  1  0.250  0.348  0.199  1.0
  Mo  Mo7  1  0.750  0.652  0.801  1.0
  Mo  Mo8  1  0.250  0.053  0.781  1.0
  Mo  Mo9  1  0.750  0.947  0.219  1.0
  O  O10  1  0.250  0.106  0.235  1.0
  O  O11  1  0.750  0.894  0.765  1.0
  O  O12  1  0.250  0.502  0.967  1.0
  O  O13  1  0.750  0.498  0.033  1.0
  O  O14  1  0.048  0.206  0.721  1.0
  O  O15  1  0.548  0.794  0.279  1.0
  O  O16  1  0.952  0.794  0.279  1.0
  O  O17  1  0.452  0.206  0.721  1.0
  O  O18  1  0.250  0.918  0.661  1.0
  O  O19  1  0.750  0.082  0.339  1.0
  O  O20  1  0.250  0.893  0.012  1.0
  O  O21  1  0.750  0.107  0.988  1.0
  O  O22  1  0.049  0.392  0.300  1.0
  O  O23  1  0.549  0.608  0.700  1.0
  O  O24  1  0.951  0.608  0.700  1.0
  O  O25  1  0.451  0.392  0.300  1.0
  O  O26  1  0.250  0.604  0.493  1.0
  O  O27  1  0.750  0.396  0.507  1.0
[/CIF]
.