The material described by Mg(MoO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(4), and one O(9) atom to form distorted MgO6 pentagonal pyramids that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and  a faceface with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(6) atom to form distorted MoO6 octahedra that share corners with two equivalent Mo(4)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra,  a cornercorner with one Mg(1)O6 pentagonal pyramid, and  a faceface with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 23-45°. In the second Mo site, Mo(2) is bonded to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(9) atom to form distorted MoO6 octahedra that share corners with two equivalent Mo(3)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, and edges with two equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 23-45°. In the third Mo site, Mo(3) is bonded to one O(1), one O(2), one O(5), one O(7), one O(8), and one O(9) atom to form distorted MoO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with four equivalent Mo(4)O6 octahedra, and corners with two equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 20-43°. In the fourth Mo site, Mo(4) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(3)O6 octahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 20-43°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(3), and one Mo(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mo(3) and one Mo(4) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(2) and one Mo(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(3) and one Mo(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(3) and one Mo(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(2), and one Mo(3) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(1), and one Mo(4) atom. In the eleventh O site, O(11) is bonded in a T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. is represented by the CIF card [CIF]
data_Mg(MoO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.456
_cell_length_b   9.252
_cell_length_c   5.258
_cell_angle_alpha   90.665
_cell_angle_beta   89.484
_cell_angle_gamma   56.786
_symmetry_Int_Tables_number   1
_cell_volume   222.013
_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  0.187  0.204  0.004  1.0
  Mo  Mo1  1  0.824  0.990  0.990  1.0
  Mo  Mo2  1  0.332  0.976  0.479  1.0
  Mo  Mo3  1  0.820  0.486  0.538  1.0
  Mo  Mo4  1  0.304  0.496  0.029  1.0
  O  O5  1  0.024  0.437  0.207  1.0
  O  O6  1  0.512  0.475  0.300  1.0
  O  O7  1  0.524  0.063  0.278  1.0
  O  O8  1  0.034  0.071  0.183  1.0
  O  O9  1  0.550  0.753  0.406  1.0
  O  O10  1  0.023  0.769  0.086  1.0
  O  O11  1  0.528  0.546  0.782  1.0
  O  O12  1  0.018  0.555  0.713  1.0
  O  O13  1  0.032  0.258  0.628  1.0
  O  O14  1  0.508  0.261  0.915  1.0
  O  O15  1  0.520  0.981  0.798  1.0
  O  O16  1  0.035  0.964  0.702  1.0
[/CIF]
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The material described by Mg(MoO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(4), and one O(9) atom to form distorted MgO6 pentagonal pyramids that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and  a faceface with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(6) atom to form distorted MoO6 octahedra that share corners with two equivalent Mo(4)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra,  a cornercorner with one Mg(1)O6 pentagonal pyramid, and  a faceface with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 23-45°. In the second Mo site, Mo(2) is bonded to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(9) atom to form distorted MoO6 octahedra that share corners with two equivalent Mo(3)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, and edges with two equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 23-45°. In the third Mo site, Mo(3) is bonded to one O(1), one O(2), one O(5), one O(7), one O(8), and one O(9) atom to form distorted MoO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with four equivalent Mo(4)O6 octahedra, and corners with two equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 20-43°. In the fourth Mo site, Mo(4) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(3)O6 octahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 20-43°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(3), and one Mo(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mo(3) and one Mo(4) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(2) and one Mo(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(3) and one Mo(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(3) and one Mo(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(2), and one Mo(3) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(1), and one Mo(4) atom. In the eleventh O site, O(11) is bonded in a T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. is represented by the CIF card [CIF]
data_Mg(MoO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.456
_cell_length_b   9.252
_cell_length_c   5.258
_cell_angle_alpha   90.665
_cell_angle_beta   89.484
_cell_angle_gamma   56.786
_symmetry_Int_Tables_number   1
_cell_volume   222.013
_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  0.187  0.204  0.004  1.0
  Mo  Mo1  1  0.824  0.990  0.990  1.0
  Mo  Mo2  1  0.332  0.976  0.479  1.0
  Mo  Mo3  1  0.820  0.486  0.538  1.0
  Mo  Mo4  1  0.304  0.496  0.029  1.0
  O  O5  1  0.024  0.437  0.207  1.0
  O  O6  1  0.512  0.475  0.300  1.0
  O  O7  1  0.524  0.063  0.278  1.0
  O  O8  1  0.034  0.071  0.183  1.0
  O  O9  1  0.550  0.753  0.406  1.0
  O  O10  1  0.023  0.769  0.086  1.0
  O  O11  1  0.528  0.546  0.782  1.0
  O  O12  1  0.018  0.555  0.713  1.0
  O  O13  1  0.032  0.258  0.628  1.0
  O  O14  1  0.508  0.261  0.915  1.0
  O  O15  1  0.520  0.981  0.798  1.0
  O  O16  1  0.035  0.964  0.702  1.0
[/CIF]
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