The compound described by Mg(MoO2)4 crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Mo(2)O6 octahedra and edges with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are two 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 edges with two equivalent Mg(1)O6 octahedra, 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 six equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra and edges with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are two 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(2), and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to three equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_Mg(MoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.187
_cell_length_b   6.187
_cell_length_c   6.187
_cell_angle_alpha   62.690
_cell_angle_beta   62.690
_cell_angle_gamma   62.690
_symmetry_Int_Tables_number   1
_cell_volume   177.474
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  Mo  Mo1  1  0.000  0.500  0.500  1.0
  Mo  Mo2  1  0.500  0.000  0.500  1.0
  Mo  Mo3  1  0.500  0.500  0.000  1.0
  Mo  Mo4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.277  0.751  0.751  1.0
  O  O6  1  0.249  0.249  0.723  1.0
  O  O7  1  0.723  0.249  0.249  1.0
  O  O8  1  0.249  0.723  0.249  1.0
  O  O9  1  0.271  0.271  0.271  1.0
  O  O10  1  0.729  0.729  0.729  1.0
  O  O11  1  0.751  0.277  0.751  1.0
  O  O12  1  0.751  0.751  0.277  1.0
[/CIF]
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The compound described by Mg(MoO2)4 crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Mo(2)O6 octahedra and edges with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are two 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 edges with two equivalent Mg(1)O6 octahedra, 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 six equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra and edges with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are two 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(2), and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to three equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_Mg(MoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.187
_cell_length_b   6.187
_cell_length_c   6.187
_cell_angle_alpha   62.690
_cell_angle_beta   62.690
_cell_angle_gamma   62.690
_symmetry_Int_Tables_number   1
_cell_volume   177.474
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  Mo  Mo1  1  0.000  0.500  0.500  1.0
  Mo  Mo2  1  0.500  0.000  0.500  1.0
  Mo  Mo3  1  0.500  0.500  0.000  1.0
  Mo  Mo4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.277  0.751  0.751  1.0
  O  O6  1  0.249  0.249  0.723  1.0
  O  O7  1  0.723  0.249  0.249  1.0
  O  O8  1  0.249  0.723  0.249  1.0
  O  O9  1  0.271  0.271  0.271  1.0
  O  O10  1  0.729  0.729  0.729  1.0
  O  O11  1  0.751  0.277  0.751  1.0
  O  O12  1  0.751  0.751  0.277  1.0
[/CIF]
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