The material described by Zn(MoO2)2 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2) and three equivalent O(1) atoms to form MoO4 tetrahedra that share corners with three equivalent Zn(2)O6 octahedra and corners with nine equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. In the second Mo site, Mo(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Mo(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3) and three equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with three equivalent Zn(2)O6 octahedra and corners with nine equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-58°. In the second Zn site, Zn(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form ZnO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and edges with six equivalent Mo(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mo(1), two equivalent Mo(2), and one Zn(2) atom. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one Mo(1) and three equivalent Mo(2) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mo(2) and one Zn(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Mo(2), one Zn(1), and one Zn(2) atom. is represented by the CIF card [CIF]
data_Zn(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.329
_cell_length_b   6.329
_cell_length_c   6.329
_cell_angle_alpha   60.892
_cell_angle_beta   60.892
_cell_angle_gamma   60.892
_symmetry_Int_Tables_number   1
_cell_volume   182.901
_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  0.996  0.996  0.996  1.0
  Zn  Zn1  1  0.371  0.371  0.371  1.0
  Mo  Mo2  1  0.762  0.762  0.762  1.0
  Mo  Mo3  1  0.877  0.375  0.375  1.0
  Mo  Mo4  1  0.375  0.375  0.877  1.0
  Mo  Mo5  1  0.375  0.877  0.375  1.0
  O  O6  1  0.616  0.153  0.616  1.0
  O  O7  1  0.616  0.616  0.153  1.0
  O  O8  1  0.153  0.616  0.616  1.0
  O  O9  1  0.613  0.613  0.613  1.0
  O  O10  1  0.132  0.132  0.132  1.0
  O  O11  1  0.602  0.132  0.132  1.0
  O  O12  1  0.132  0.132  0.602  1.0
  O  O13  1  0.132  0.602  0.132  1.0
[/CIF]
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The material described by Zn(MoO2)2 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2) and three equivalent O(1) atoms to form MoO4 tetrahedra that share corners with three equivalent Zn(2)O6 octahedra and corners with nine equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. In the second Mo site, Mo(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Mo(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3) and three equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with three equivalent Zn(2)O6 octahedra and corners with nine equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-58°. In the second Zn site, Zn(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form ZnO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and edges with six equivalent Mo(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mo(1), two equivalent Mo(2), and one Zn(2) atom. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one Mo(1) and three equivalent Mo(2) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mo(2) and one Zn(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Mo(2), one Zn(1), and one Zn(2) atom. is represented by the CIF card [CIF]
data_Zn(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.329
_cell_length_b   6.329
_cell_length_c   6.329
_cell_angle_alpha   60.892
_cell_angle_beta   60.892
_cell_angle_gamma   60.892
_symmetry_Int_Tables_number   1
_cell_volume   182.901
_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  0.996  0.996  0.996  1.0
  Zn  Zn1  1  0.371  0.371  0.371  1.0
  Mo  Mo2  1  0.762  0.762  0.762  1.0
  Mo  Mo3  1  0.877  0.375  0.375  1.0
  Mo  Mo4  1  0.375  0.375  0.877  1.0
  Mo  Mo5  1  0.375  0.877  0.375  1.0
  O  O6  1  0.616  0.153  0.616  1.0
  O  O7  1  0.616  0.616  0.153  1.0
  O  O8  1  0.153  0.616  0.616  1.0
  O  O9  1  0.613  0.613  0.613  1.0
  O  O10  1  0.132  0.132  0.132  1.0
  O  O11  1  0.602  0.132  0.132  1.0
  O  O12  1  0.132  0.132  0.602  1.0
  O  O13  1  0.132  0.602  0.132  1.0
[/CIF]
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