The structure described by Mg(MoO2)2 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with three equivalent Mg(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 Mg site, Mg(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form MgO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra, and edges with six equivalent Mo(2)O6 octahedra. 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 distorted MoO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. 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 Mg(1)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with four 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 Mg(2), one Mo(1), and two equivalent Mo(2) atoms. 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 one Mg(1) and three equivalent Mo(2) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mg(2), and two equivalent Mo(2) atoms. is represented by the CIF card [CIF]
data_Mg(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.320
_cell_length_b   6.320
_cell_length_c   6.320
_cell_angle_alpha   60.808
_cell_angle_beta   60.808
_cell_angle_gamma   60.808
_symmetry_Int_Tables_number   1
_cell_volume   181.732
_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
  Mg  Mg0  1  0.003  0.003  0.003  1.0
  Mg  Mg1  1  0.629  0.629  0.629  1.0
  Mo  Mo2  1  0.234  0.234  0.234  1.0
  Mo  Mo3  1  0.625  0.122  0.625  1.0
  Mo  Mo4  1  0.625  0.625  0.122  1.0
  Mo  Mo5  1  0.122  0.625  0.625  1.0
  O  O6  1  0.846  0.388  0.388  1.0
  O  O7  1  0.388  0.388  0.846  1.0
  O  O8  1  0.388  0.846  0.388  1.0
  O  O9  1  0.387  0.387  0.387  1.0
  O  O10  1  0.869  0.869  0.869  1.0
  O  O11  1  0.867  0.399  0.867  1.0
  O  O12  1  0.867  0.867  0.399  1.0
  O  O13  1  0.399  0.867  0.867  1.0
[/CIF]
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The structure described by Mg(MoO2)2 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with three equivalent Mg(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 Mg site, Mg(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form MgO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra, and edges with six equivalent Mo(2)O6 octahedra. 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 distorted MoO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. 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 Mg(1)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with four 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 Mg(2), one Mo(1), and two equivalent Mo(2) atoms. 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 one Mg(1) and three equivalent Mo(2) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mg(2), and two equivalent Mo(2) atoms. is represented by the CIF card [CIF]
data_Mg(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.320
_cell_length_b   6.320
_cell_length_c   6.320
_cell_angle_alpha   60.808
_cell_angle_beta   60.808
_cell_angle_gamma   60.808
_symmetry_Int_Tables_number   1
_cell_volume   181.732
_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
  Mg  Mg0  1  0.003  0.003  0.003  1.0
  Mg  Mg1  1  0.629  0.629  0.629  1.0
  Mo  Mo2  1  0.234  0.234  0.234  1.0
  Mo  Mo3  1  0.625  0.122  0.625  1.0
  Mo  Mo4  1  0.625  0.625  0.122  1.0
  Mo  Mo5  1  0.122  0.625  0.625  1.0
  O  O6  1  0.846  0.388  0.388  1.0
  O  O7  1  0.388  0.388  0.846  1.0
  O  O8  1  0.388  0.846  0.388  1.0
  O  O9  1  0.387  0.387  0.387  1.0
  O  O10  1  0.869  0.869  0.869  1.0
  O  O11  1  0.867  0.399  0.867  1.0
  O  O12  1  0.867  0.867  0.399  1.0
  O  O13  1  0.399  0.867  0.867  1.0
[/CIF]
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