The material structure described by Zn(MoO2)2 is Spinel-like structured and crystallizes in the orthorhombic Pbcm space group. Mo(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 1-65°. Zn(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mo(1) and one Zn(1) atom to form distorted OZnMo3 tetrahedra that share corners with three equivalent O(1)ZnMo3 tetrahedra, corners with five equivalent O(3)Zn2Mo2 tetrahedra, and edges with two equivalent O(1)ZnMo3 tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to four equivalent Mo(1) atoms. In the third O site, O(3) 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(3)Zn2Mo2 tetrahedra and corners with ten equivalent O(1)ZnMo3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.159
_cell_length_b   10.302
_cell_length_c   10.444
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   339.826
_cell_formula_units_Z   4
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  0.047  0.354  0.750  1.0
  Zn  Zn1  1  0.047  0.146  0.250  1.0
  Zn  Zn2  1  0.953  0.854  0.750  1.0
  Zn  Zn3  1  0.953  0.646  0.250  1.0
  Mo  Mo4  1  0.700  0.118  0.927  1.0
  Mo  Mo5  1  0.700  0.382  0.427  1.0
  Mo  Mo6  1  0.300  0.882  0.427  1.0
  Mo  Mo7  1  0.700  0.382  0.073  1.0
  Mo  Mo8  1  0.300  0.882  0.073  1.0
  Mo  Mo9  1  0.700  0.118  0.573  1.0
  Mo  Mo10  1  0.300  0.618  0.573  1.0
  Mo  Mo11  1  0.300  0.618  0.927  1.0
  O  O12  1  0.199  0.981  0.612  1.0
  O  O13  1  0.801  0.019  0.388  1.0
  O  O14  1  0.194  0.250  0.500  1.0
  O  O15  1  0.801  0.481  0.612  1.0
  O  O16  1  0.801  0.481  0.888  1.0
  O  O17  1  0.576  0.275  0.250  1.0
  O  O18  1  0.199  0.519  0.388  1.0
  O  O19  1  0.424  0.775  0.250  1.0
  O  O20  1  0.194  0.250  0.000  1.0
  O  O21  1  0.806  0.750  0.500  1.0
  O  O22  1  0.199  0.981  0.888  1.0
  O  O23  1  0.424  0.725  0.750  1.0
  O  O24  1  0.576  0.225  0.750  1.0
  O  O25  1  0.806  0.750  0.000  1.0
  O  O26  1  0.199  0.519  0.112  1.0
  O  O27  1  0.801  0.019  0.112  1.0
[/CIF]
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The material structure described by Zn(MoO2)2 is Spinel-like structured and crystallizes in the orthorhombic Pbcm space group. Mo(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 1-65°. Zn(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mo(1) and one Zn(1) atom to form distorted OZnMo3 tetrahedra that share corners with three equivalent O(1)ZnMo3 tetrahedra, corners with five equivalent O(3)Zn2Mo2 tetrahedra, and edges with two equivalent O(1)ZnMo3 tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to four equivalent Mo(1) atoms. In the third O site, O(3) 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(3)Zn2Mo2 tetrahedra and corners with ten equivalent O(1)ZnMo3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.159
_cell_length_b   10.302
_cell_length_c   10.444
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   339.826
_cell_formula_units_Z   4
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  0.047  0.354  0.750  1.0
  Zn  Zn1  1  0.047  0.146  0.250  1.0
  Zn  Zn2  1  0.953  0.854  0.750  1.0
  Zn  Zn3  1  0.953  0.646  0.250  1.0
  Mo  Mo4  1  0.700  0.118  0.927  1.0
  Mo  Mo5  1  0.700  0.382  0.427  1.0
  Mo  Mo6  1  0.300  0.882  0.427  1.0
  Mo  Mo7  1  0.700  0.382  0.073  1.0
  Mo  Mo8  1  0.300  0.882  0.073  1.0
  Mo  Mo9  1  0.700  0.118  0.573  1.0
  Mo  Mo10  1  0.300  0.618  0.573  1.0
  Mo  Mo11  1  0.300  0.618  0.927  1.0
  O  O12  1  0.199  0.981  0.612  1.0
  O  O13  1  0.801  0.019  0.388  1.0
  O  O14  1  0.194  0.250  0.500  1.0
  O  O15  1  0.801  0.481  0.612  1.0
  O  O16  1  0.801  0.481  0.888  1.0
  O  O17  1  0.576  0.275  0.250  1.0
  O  O18  1  0.199  0.519  0.388  1.0
  O  O19  1  0.424  0.775  0.250  1.0
  O  O20  1  0.194  0.250  0.000  1.0
  O  O21  1  0.806  0.750  0.500  1.0
  O  O22  1  0.199  0.981  0.888  1.0
  O  O23  1  0.424  0.725  0.750  1.0
  O  O24  1  0.576  0.225  0.750  1.0
  O  O25  1  0.806  0.750  0.000  1.0
  O  O26  1  0.199  0.519  0.112  1.0
  O  O27  1  0.801  0.019  0.112  1.0
[/CIF]
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