The compound described by Mg(MoO3)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(2), two equivalent O(5), and two equivalent O(6) atoms to form distorted MgO5 trigonal bipyramids that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles are 66°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form distorted MoO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-30°. In the second Mo site, Mo(2) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form distorted MoO6 octahedra that share corners with four equivalent Mo(2)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 14-27°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Mo(2) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mo(2) and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Mo(2) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Mg(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one Mo(2) atom. is represented by the CIF card [CIF]
data_Mg(MoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.851
_cell_length_b   3.984
_cell_length_c   8.048
_cell_angle_alpha   103.839
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   119.896
_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  0.750  0.249  0.972  1.0
  Mo  Mo1  1  0.250  0.343  0.323  1.0
  Mo  Mo2  1  0.750  0.603  0.668  1.0
  O  O3  1  0.250  0.908  0.341  1.0
  O  O4  1  0.750  0.113  0.699  1.0
  O  O5  1  0.750  0.450  0.375  1.0
  O  O6  1  0.250  0.561  0.608  1.0
  O  O7  1  0.250  0.290  0.082  1.0
  O  O8  1  0.750  0.716  0.908  1.0
[/CIF]
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The compound described by Mg(MoO3)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(2), two equivalent O(5), and two equivalent O(6) atoms to form distorted MgO5 trigonal bipyramids that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles are 66°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form distorted MoO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-30°. In the second Mo site, Mo(2) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form distorted MoO6 octahedra that share corners with four equivalent Mo(2)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 14-27°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Mo(2) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mo(2) and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Mo(2) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Mg(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one Mo(2) atom. is represented by the CIF card [CIF]
data_Mg(MoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.851
_cell_length_b   3.984
_cell_length_c   8.048
_cell_angle_alpha   103.839
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   119.896
_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  0.750  0.249  0.972  1.0
  Mo  Mo1  1  0.250  0.343  0.323  1.0
  Mo  Mo2  1  0.750  0.603  0.668  1.0
  O  O3  1  0.250  0.908  0.341  1.0
  O  O4  1  0.750  0.113  0.699  1.0
  O  O5  1  0.750  0.450  0.375  1.0
  O  O6  1  0.250  0.561  0.608  1.0
  O  O7  1  0.250  0.290  0.082  1.0
  O  O8  1  0.750  0.716  0.908  1.0
[/CIF]
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