The material structure described by Mg(MoO2)2 is Spinel structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form MgO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(3)O6 octahedra, and corners with six equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mo(3)O6 octahedra, and edges with four equivalent Mo(2)O6 octahedra. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. In the third Mo site, Mo(3) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with four equivalent Mo(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(1), one Mo(2), and one Mo(3) atom. In the second O site, O(2) is bonded to one Mg(1), one Mo(1), and two equivalent Mo(2) atoms to form distorted corner-sharing OMgMo3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(3), and two equivalent Mo(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.192
_cell_length_b   6.436
_cell_length_c   6.189
_cell_angle_alpha   90.326
_cell_angle_beta   117.176
_cell_angle_gamma   121.093
_symmetry_Int_Tables_number   1
_cell_volume   178.202
_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  0.244  0.122  0.878  1.0
  Mg  Mg1  1  0.756  0.878  0.122  1.0
  Mo  Mo2  1  0.500  1.000  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  0.747  0.256  1.0
  O  O7  1  0.490  0.747  0.735  1.0
  O  O8  1  0.485  0.741  0.256  1.0
  O  O9  1  0.987  0.735  0.747  1.0
  O  O10  1  0.515  0.259  0.744  1.0
  O  O11  1  0.510  0.253  0.265  1.0
  O  O12  1  0.013  0.265  0.253  1.0
  O  O13  1  0.988  0.253  0.744  1.0
[/CIF]
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The material structure described by Mg(MoO2)2 is Spinel structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form MgO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(3)O6 octahedra, and corners with six equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mo(3)O6 octahedra, and edges with four equivalent Mo(2)O6 octahedra. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. In the third Mo site, Mo(3) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with four equivalent Mo(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(1), one Mo(2), and one Mo(3) atom. In the second O site, O(2) is bonded to one Mg(1), one Mo(1), and two equivalent Mo(2) atoms to form distorted corner-sharing OMgMo3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(3), and two equivalent Mo(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.192
_cell_length_b   6.436
_cell_length_c   6.189
_cell_angle_alpha   90.326
_cell_angle_beta   117.176
_cell_angle_gamma   121.093
_symmetry_Int_Tables_number   1
_cell_volume   178.202
_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  0.244  0.122  0.878  1.0
  Mg  Mg1  1  0.756  0.878  0.122  1.0
  Mo  Mo2  1  0.500  1.000  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  0.747  0.256  1.0
  O  O7  1  0.490  0.747  0.735  1.0
  O  O8  1  0.485  0.741  0.256  1.0
  O  O9  1  0.987  0.735  0.747  1.0
  O  O10  1  0.515  0.259  0.744  1.0
  O  O11  1  0.510  0.253  0.265  1.0
  O  O12  1  0.013  0.265  0.253  1.0
  O  O13  1  0.988  0.253  0.744  1.0
[/CIF]
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