The compound described by Mo2Zn3O7 crystallizes in the orthorhombic Cmc2_1 space group. Mo(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with five equivalent Mo(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with five equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with eight equivalent Mo(1)O6 octahedra and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 65-81°. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with five equivalent Mo(1)O6 octahedra and corners with six equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-80°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mo(1) and three equivalent Zn(2) atoms to form distorted OZn3Mo tetrahedra that share  a cornercorner with one O(4)Zn2Mo2 tetrahedra and corners with six equivalent O(1)Zn3Mo tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Zn(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Zn(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mo(1) and two equivalent Zn(1) atoms to form distorted OZn2Mo2 tetrahedra that share corners with two equivalent O(4)Zn2Mo2 tetrahedra and corners with two equivalent O(1)Zn3Mo tetrahedra. is represented by the CIF file [CIF]
data_Zn3Mo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.997
_cell_length_b   9.997
_cell_length_c   5.323
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   148.986
_symmetry_Int_Tables_number   1
_cell_volume   274.126
_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  0.734  0.734  0.263  1.0
  Zn  Zn1  1  0.266  0.266  0.763  1.0
  Zn  Zn2  1  0.989  0.579  0.219  1.0
  Zn  Zn3  1  0.011  0.421  0.719  1.0
  Zn  Zn4  1  0.579  0.989  0.219  1.0
  Zn  Zn5  1  0.421  0.011  0.719  1.0
  Mo  Mo6  1  0.149  0.355  0.243  1.0
  Mo  Mo7  1  0.851  0.645  0.743  1.0
  Mo  Mo8  1  0.645  0.851  0.743  1.0
  Mo  Mo9  1  0.355  0.149  0.243  1.0
  O  O10  1  0.346  0.936  0.342  1.0
  O  O11  1  0.654  0.064  0.842  1.0
  O  O12  1  0.064  0.654  0.842  1.0
  O  O13  1  0.936  0.346  0.342  1.0
  O  O14  1  0.545  0.277  0.918  1.0
  O  O15  1  0.455  0.723  0.418  1.0
  O  O16  1  0.723  0.455  0.418  1.0
  O  O17  1  0.277  0.545  0.918  1.0
  O  O18  1  0.989  0.840  0.066  1.0
  O  O19  1  0.011  0.160  0.566  1.0
  O  O20  1  0.369  0.369  0.142  1.0
  O  O21  1  0.631  0.631  0.642  1.0
  O  O22  1  0.840  0.989  0.066  1.0
  O  O23  1  0.160  0.011  0.566  1.0
[/CIF]
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The compound described by Mo2Zn3O7 crystallizes in the orthorhombic Cmc2_1 space group. Mo(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with five equivalent Mo(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with five equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with eight equivalent Mo(1)O6 octahedra and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 65-81°. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with five equivalent Mo(1)O6 octahedra and corners with six equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-80°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mo(1) and three equivalent Zn(2) atoms to form distorted OZn3Mo tetrahedra that share  a cornercorner with one O(4)Zn2Mo2 tetrahedra and corners with six equivalent O(1)Zn3Mo tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Zn(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Zn(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mo(1) and two equivalent Zn(1) atoms to form distorted OZn2Mo2 tetrahedra that share corners with two equivalent O(4)Zn2Mo2 tetrahedra and corners with two equivalent O(1)Zn3Mo tetrahedra. is represented by the CIF file [CIF]
data_Zn3Mo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.997
_cell_length_b   9.997
_cell_length_c   5.323
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   148.986
_symmetry_Int_Tables_number   1
_cell_volume   274.126
_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  0.734  0.734  0.263  1.0
  Zn  Zn1  1  0.266  0.266  0.763  1.0
  Zn  Zn2  1  0.989  0.579  0.219  1.0
  Zn  Zn3  1  0.011  0.421  0.719  1.0
  Zn  Zn4  1  0.579  0.989  0.219  1.0
  Zn  Zn5  1  0.421  0.011  0.719  1.0
  Mo  Mo6  1  0.149  0.355  0.243  1.0
  Mo  Mo7  1  0.851  0.645  0.743  1.0
  Mo  Mo8  1  0.645  0.851  0.743  1.0
  Mo  Mo9  1  0.355  0.149  0.243  1.0
  O  O10  1  0.346  0.936  0.342  1.0
  O  O11  1  0.654  0.064  0.842  1.0
  O  O12  1  0.064  0.654  0.842  1.0
  O  O13  1  0.936  0.346  0.342  1.0
  O  O14  1  0.545  0.277  0.918  1.0
  O  O15  1  0.455  0.723  0.418  1.0
  O  O16  1  0.723  0.455  0.418  1.0
  O  O17  1  0.277  0.545  0.918  1.0
  O  O18  1  0.989  0.840  0.066  1.0
  O  O19  1  0.011  0.160  0.566  1.0
  O  O20  1  0.369  0.369  0.142  1.0
  O  O21  1  0.631  0.631  0.642  1.0
  O  O22  1  0.840  0.989  0.066  1.0
  O  O23  1  0.160  0.011  0.566  1.0
[/CIF]
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