The material described by Zn(MoO2)2 is Spinel 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), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with four equivalent Mo(1)O6 octahedra. In the second Mo site, Mo(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MoO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with six equivalent Mo(1)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Mo(2)O6 octahedra and corners with nine equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. 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 three equivalent Mo(2)O6 octahedra and corners with nine equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. 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(2), two equivalent Mo(1), and one Zn(2) atom. In the second O site, O(2) is bonded to three equivalent Mo(1) and one Zn(2) atom to form distorted corner-sharing OZnMo3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mo(2), two equivalent Mo(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded to three equivalent Mo(1) and one Zn(1) atom to form distorted corner-sharing OZnMo3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.199
_cell_length_b   6.437
_cell_length_c   6.199
_cell_angle_alpha   90.007
_cell_angle_beta   117.443
_cell_angle_gamma   121.270
_symmetry_Int_Tables_number   1
_cell_volume   178.064
_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  0.245  0.123  0.877  1.0
  Zn  Zn1  1  0.756  0.878  0.122  1.0
  Mo  Mo2  1  0.500  0.000  0.500  1.0
  Mo  Mo3  1  0.500  0.500  0.500  1.0
  Mo  Mo4  1  0.000  0.500  1.000  1.0
  Mo  Mo5  1  1.000  0.500  0.500  1.0
  O  O6  1  0.012  0.745  0.255  1.0
  O  O7  1  0.489  0.745  0.732  1.0
  O  O8  1  0.484  0.742  0.258  1.0
  O  O9  1  0.988  0.733  0.745  1.0
  O  O10  1  0.516  0.258  0.742  1.0
  O  O11  1  0.509  0.255  0.267  1.0
  O  O12  1  0.012  0.268  0.255  1.0
  O  O13  1  0.988  0.255  0.745  1.0
[/CIF]
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The material described by Zn(MoO2)2 is Spinel 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), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with four equivalent Mo(1)O6 octahedra. In the second Mo site, Mo(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MoO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with six equivalent Mo(1)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Mo(2)O6 octahedra and corners with nine equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. 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 three equivalent Mo(2)O6 octahedra and corners with nine equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. 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(2), two equivalent Mo(1), and one Zn(2) atom. In the second O site, O(2) is bonded to three equivalent Mo(1) and one Zn(2) atom to form distorted corner-sharing OZnMo3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mo(2), two equivalent Mo(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded to three equivalent Mo(1) and one Zn(1) atom to form distorted corner-sharing OZnMo3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.199
_cell_length_b   6.437
_cell_length_c   6.199
_cell_angle_alpha   90.007
_cell_angle_beta   117.443
_cell_angle_gamma   121.270
_symmetry_Int_Tables_number   1
_cell_volume   178.064
_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  0.245  0.123  0.877  1.0
  Zn  Zn1  1  0.756  0.878  0.122  1.0
  Mo  Mo2  1  0.500  0.000  0.500  1.0
  Mo  Mo3  1  0.500  0.500  0.500  1.0
  Mo  Mo4  1  0.000  0.500  1.000  1.0
  Mo  Mo5  1  1.000  0.500  0.500  1.0
  O  O6  1  0.012  0.745  0.255  1.0
  O  O7  1  0.489  0.745  0.732  1.0
  O  O8  1  0.484  0.742  0.258  1.0
  O  O9  1  0.988  0.733  0.745  1.0
  O  O10  1  0.516  0.258  0.742  1.0
  O  O11  1  0.509  0.255  0.267  1.0
  O  O12  1  0.012  0.268  0.255  1.0
  O  O13  1  0.988  0.255  0.745  1.0
[/CIF]
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