The material described by MgMoO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with four equivalent Mo(2)O4 tetrahedra, and edges with two equivalent Mg(2)O6 octahedra. In the second Mg site, Mg(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Mo(2)O4 tetrahedra, corners with four equivalent Mo(1)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form MoO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-60°. In the second Mo site, Mo(2) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form MoO4 tetrahedra that share corners with two equivalent Mg(2)O6 octahedra and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-57°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Mg(2) and one Mo(1) atom. In the third O site, O(3) is bonded to one Mg(1), two equivalent Mg(2), and one Mo(1) atom to form distorted edge-sharing OMg3Mo tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(2), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(2) atom. is represented by the CIF card [CIF]
data_MgMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.917
_cell_length_b   6.917
_cell_length_c   7.040
_cell_angle_alpha   77.306
_cell_angle_beta   77.305
_cell_angle_gamma   84.039
_symmetry_Int_Tables_number   1
_cell_volume   320.011
_cell_formula_units_Z   4
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  0.701  0.701  0.642  1.0
  Mg  Mg1  1  0.299  0.299  0.358  1.0
  Mg  Mg2  1  0.322  0.678  1.000  1.0
  Mg  Mg3  1  0.678  0.322  1.000  1.0
  Mo  Mo4  1  0.770  0.770  0.095  1.0
  Mo  Mo5  1  0.230  0.230  0.905  1.0
  Mo  Mo6  1  0.250  0.750  0.500  1.0
  Mo  Mo7  1  0.750  0.250  0.500  1.0
  O  O8  1  0.700  0.700  0.354  1.0
  O  O9  1  0.300  0.300  0.646  1.0
  O  O10  1  0.290  0.978  0.973  1.0
  O  O11  1  0.022  0.710  0.027  1.0
  O  O12  1  0.710  0.022  0.027  1.0
  O  O13  1  0.978  0.290  0.973  1.0
  O  O14  1  0.641  0.641  0.961  1.0
  O  O15  1  0.359  0.359  0.039  1.0
  O  O16  1  0.695  0.389  0.696  1.0
  O  O17  1  0.611  0.305  0.304  1.0
  O  O18  1  0.305  0.611  0.304  1.0
  O  O19  1  0.389  0.695  0.696  1.0
  O  O20  1  0.003  0.714  0.609  1.0
  O  O21  1  0.997  0.286  0.391  1.0
  O  O22  1  0.286  0.997  0.391  1.0
  O  O23  1  0.714  0.003  0.609  1.0
[/CIF]
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The material described by MgMoO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with four equivalent Mo(2)O4 tetrahedra, and edges with two equivalent Mg(2)O6 octahedra. In the second Mg site, Mg(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Mo(2)O4 tetrahedra, corners with four equivalent Mo(1)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form MoO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-60°. In the second Mo site, Mo(2) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form MoO4 tetrahedra that share corners with two equivalent Mg(2)O6 octahedra and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-57°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Mg(2) and one Mo(1) atom. In the third O site, O(3) is bonded to one Mg(1), two equivalent Mg(2), and one Mo(1) atom to form distorted edge-sharing OMg3Mo tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(2), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(2) atom. is represented by the CIF card [CIF]
data_MgMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.917
_cell_length_b   6.917
_cell_length_c   7.040
_cell_angle_alpha   77.306
_cell_angle_beta   77.305
_cell_angle_gamma   84.039
_symmetry_Int_Tables_number   1
_cell_volume   320.011
_cell_formula_units_Z   4
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  0.701  0.701  0.642  1.0
  Mg  Mg1  1  0.299  0.299  0.358  1.0
  Mg  Mg2  1  0.322  0.678  1.000  1.0
  Mg  Mg3  1  0.678  0.322  1.000  1.0
  Mo  Mo4  1  0.770  0.770  0.095  1.0
  Mo  Mo5  1  0.230  0.230  0.905  1.0
  Mo  Mo6  1  0.250  0.750  0.500  1.0
  Mo  Mo7  1  0.750  0.250  0.500  1.0
  O  O8  1  0.700  0.700  0.354  1.0
  O  O9  1  0.300  0.300  0.646  1.0
  O  O10  1  0.290  0.978  0.973  1.0
  O  O11  1  0.022  0.710  0.027  1.0
  O  O12  1  0.710  0.022  0.027  1.0
  O  O13  1  0.978  0.290  0.973  1.0
  O  O14  1  0.641  0.641  0.961  1.0
  O  O15  1  0.359  0.359  0.039  1.0
  O  O16  1  0.695  0.389  0.696  1.0
  O  O17  1  0.611  0.305  0.304  1.0
  O  O18  1  0.305  0.611  0.304  1.0
  O  O19  1  0.389  0.695  0.696  1.0
  O  O20  1  0.003  0.714  0.609  1.0
  O  O21  1  0.997  0.286  0.391  1.0
  O  O22  1  0.286  0.997  0.391  1.0
  O  O23  1  0.714  0.003  0.609  1.0
[/CIF]
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