The crystal structure described by ZnMoO4 crystallizes in the monoclinic P2/c space group. Mo(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted edge-sharing ZnO6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Zn(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Mo(1) and two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_ZnMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.737
_cell_length_b   4.674
_cell_length_c   4.877
_cell_angle_alpha   89.894
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   130.779
_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  0.686  0.500  0.750  1.0
  Zn  Zn1  1  0.314  0.500  0.250  1.0
  Mo  Mo2  1  0.811  0.000  0.250  1.0
  Mo  Mo3  1  0.189  0.000  0.750  1.0
  O  O4  1  0.623  0.745  0.404  1.0
  O  O5  1  0.623  0.255  0.096  1.0
  O  O6  1  0.377  0.255  0.596  1.0
  O  O7  1  0.377  0.745  0.904  1.0
  O  O8  1  0.894  0.217  0.561  1.0
  O  O9  1  0.894  0.783  0.939  1.0
  O  O10  1  0.106  0.783  0.439  1.0
  O  O11  1  0.106  0.217  0.061  1.0
[/CIF]
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The crystal structure described by ZnMoO4 crystallizes in the monoclinic P2/c space group. Mo(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted edge-sharing ZnO6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Zn(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Mo(1) and two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_ZnMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.737
_cell_length_b   4.674
_cell_length_c   4.877
_cell_angle_alpha   89.894
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   130.779
_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  0.686  0.500  0.750  1.0
  Zn  Zn1  1  0.314  0.500  0.250  1.0
  Mo  Mo2  1  0.811  0.000  0.250  1.0
  Mo  Mo3  1  0.189  0.000  0.750  1.0
  O  O4  1  0.623  0.745  0.404  1.0
  O  O5  1  0.623  0.255  0.096  1.0
  O  O6  1  0.377  0.255  0.596  1.0
  O  O7  1  0.377  0.745  0.904  1.0
  O  O8  1  0.894  0.217  0.561  1.0
  O  O9  1  0.894  0.783  0.939  1.0
  O  O10  1  0.106  0.783  0.439  1.0
  O  O11  1  0.106  0.217  0.061  1.0
[/CIF]
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