The material structure described by MgMo2O5 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3), one O(7), two equivalent O(10), and two equivalent O(2) atoms to form distorted MgO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra, corners with four equivalent Mo(4)O6 octahedra, corners with two equivalent Mo(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Mo(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 26-64°. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to one O(4), one O(8), one O(9), and two equivalent O(1) atoms. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(2), one O(4), and two equivalent O(3) atoms to form distorted MoO5 trigonal bipyramids that share  a cornercorner with one Mo(4)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mo(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-64°. In the second Mo site, Mo(2) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(9) atoms to form MoO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 26-66°. In the third Mo site, Mo(3) is bonded to one O(1), one O(5), two equivalent O(6), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 66°. In the fourth Mo site, Mo(4) is bonded to one O(2), one O(6), two equivalent O(5), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra,  a cornercorner with one Mo(1)O5 trigonal bipyramid, edges with two equivalent Mo(3)O6 octahedra, and edges with two equivalent Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-64°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(2), one Mo(2), and one Mo(3) atom to form OMg2Mo2 tetrahedra that share corners with two equivalent O(1)Mg2Mo2 tetrahedra and  a cornercorner with one O(3)MgMo3 trigonal pyramid. In the second O site, O(2) is bonded to two equivalent Mg(1), one Mo(1), and one Mo(4) atom to form OMg2Mo2 tetrahedra that share corners with two equivalent O(2)Mg2Mo2 tetrahedra and edges with two equivalent O(3)MgMo3 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Mo(2), and two equivalent Mo(1) atoms to form OMgMo3 trigonal pyramids that share  a cornercorner with one O(1)Mg2Mo2 tetrahedra, corners with two equivalent O(3)MgMo3 trigonal pyramids, and edges with two equivalent O(2)Mg2Mo2 tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(2), one Mo(1), and two equivalent Mo(2) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mo(3) and two equivalent Mo(4) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mo(4) and two equivalent Mo(3) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Mo(4) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mg(2) and two equivalent Mo(3) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mg(2) and two equivalent Mo(2) atoms. In the tenth O site, O(10) is bonded in a trigonal planar geometry to two equivalent Mg(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMo2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.238
_cell_length_b   5.164
_cell_length_c   12.345
_cell_angle_alpha   94.642
_cell_angle_beta   90.546
_cell_angle_gamma   90.858
_symmetry_Int_Tables_number   1
_cell_volume   205.713
_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  0.805  0.887  0.226  1.0
  Mg  Mg1  1  0.266  0.133  0.762  1.0
  Mo  Mo2  1  0.287  0.402  0.100  1.0
  Mo  Mo3  1  0.757  0.612  0.895  1.0
  Mo  Mo4  1  0.786  0.593  0.604  1.0
  Mo  Mo5  1  0.268  0.416  0.389  1.0
  O  O6  1  0.770  0.375  0.751  1.0
  O  O7  1  0.300  0.623  0.248  1.0
  O  O8  1  0.784  0.656  0.065  1.0
  O  O9  1  0.256  0.363  0.934  1.0
  O  O10  1  0.775  0.660  0.446  1.0
  O  O11  1  0.282  0.349  0.551  1.0
  O  O12  1  0.798  0.191  0.340  1.0
  O  O13  1  0.255  0.823  0.652  1.0
  O  O14  1  0.300  0.841  0.867  1.0
  O  O15  1  0.309  0.083  0.154  1.0
[/CIF]
.
The material structure described by MgMo2O5 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3), one O(7), two equivalent O(10), and two equivalent O(2) atoms to form distorted MgO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra, corners with four equivalent Mo(4)O6 octahedra, corners with two equivalent Mo(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Mo(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 26-64°. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to one O(4), one O(8), one O(9), and two equivalent O(1) atoms. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(2), one O(4), and two equivalent O(3) atoms to form distorted MoO5 trigonal bipyramids that share  a cornercorner with one Mo(4)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mo(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-64°. In the second Mo site, Mo(2) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(9) atoms to form MoO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 26-66°. In the third Mo site, Mo(3) is bonded to one O(1), one O(5), two equivalent O(6), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 66°. In the fourth Mo site, Mo(4) is bonded to one O(2), one O(6), two equivalent O(5), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra,  a cornercorner with one Mo(1)O5 trigonal bipyramid, edges with two equivalent Mo(3)O6 octahedra, and edges with two equivalent Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-64°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(2), one Mo(2), and one Mo(3) atom to form OMg2Mo2 tetrahedra that share corners with two equivalent O(1)Mg2Mo2 tetrahedra and  a cornercorner with one O(3)MgMo3 trigonal pyramid. In the second O site, O(2) is bonded to two equivalent Mg(1), one Mo(1), and one Mo(4) atom to form OMg2Mo2 tetrahedra that share corners with two equivalent O(2)Mg2Mo2 tetrahedra and edges with two equivalent O(3)MgMo3 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Mo(2), and two equivalent Mo(1) atoms to form OMgMo3 trigonal pyramids that share  a cornercorner with one O(1)Mg2Mo2 tetrahedra, corners with two equivalent O(3)MgMo3 trigonal pyramids, and edges with two equivalent O(2)Mg2Mo2 tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(2), one Mo(1), and two equivalent Mo(2) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mo(3) and two equivalent Mo(4) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mo(4) and two equivalent Mo(3) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Mo(4) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mg(2) and two equivalent Mo(3) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mg(2) and two equivalent Mo(2) atoms. In the tenth O site, O(10) is bonded in a trigonal planar geometry to two equivalent Mg(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMo2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.238
_cell_length_b   5.164
_cell_length_c   12.345
_cell_angle_alpha   94.642
_cell_angle_beta   90.546
_cell_angle_gamma   90.858
_symmetry_Int_Tables_number   1
_cell_volume   205.713
_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  0.805  0.887  0.226  1.0
  Mg  Mg1  1  0.266  0.133  0.762  1.0
  Mo  Mo2  1  0.287  0.402  0.100  1.0
  Mo  Mo3  1  0.757  0.612  0.895  1.0
  Mo  Mo4  1  0.786  0.593  0.604  1.0
  Mo  Mo5  1  0.268  0.416  0.389  1.0
  O  O6  1  0.770  0.375  0.751  1.0
  O  O7  1  0.300  0.623  0.248  1.0
  O  O8  1  0.784  0.656  0.065  1.0
  O  O9  1  0.256  0.363  0.934  1.0
  O  O10  1  0.775  0.660  0.446  1.0
  O  O11  1  0.282  0.349  0.551  1.0
  O  O12  1  0.798  0.191  0.340  1.0
  O  O13  1  0.255  0.823  0.652  1.0
  O  O14  1  0.300  0.841  0.867  1.0
  O  O15  1  0.309  0.083  0.154  1.0
[/CIF]
.