The material described by MgMo2O7 crystallizes in the monoclinic P2_1 space group. Mg(1) is bonded to one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted MgO5 trigonal bipyramids that share corners with two equivalent Mo(2)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra, and corners with two equivalent Mg(1)O5 trigonal bipyramids. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one Mo(2)O4 tetrahedra and corners with three equivalent Mg(1)O5 trigonal bipyramids. In the second Mo site, Mo(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form MoO4 tetrahedra that share  a cornercorner with one Mo(1)O4 tetrahedra and corners with two equivalent Mg(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Mo(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mg(1) and one Mo(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mg(1) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.798
_cell_length_b   6.459
_cell_length_c   8.202
_cell_angle_alpha   73.105
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   344.592
_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  0.138  0.099  0.357  1.0
  Mg  Mg1  1  0.638  0.901  0.643  1.0
  Mo  Mo2  1  0.143  0.899  0.793  1.0
  Mo  Mo3  1  0.643  0.101  0.207  1.0
  Mo  Mo4  1  0.685  0.365  0.774  1.0
  Mo  Mo5  1  0.185  0.635  0.226  1.0
  O  O6  1  0.377  0.579  0.367  1.0
  O  O7  1  0.877  0.421  0.633  1.0
  O  O8  1  0.761  0.043  0.415  1.0
  O  O9  1  0.261  0.957  0.585  1.0
  O  O10  1  0.030  0.401  0.278  1.0
  O  O11  1  0.530  0.599  0.722  1.0
  O  O12  1  0.398  0.187  0.232  1.0
  O  O13  1  0.898  0.813  0.768  1.0
  O  O14  1  0.062  0.871  0.249  1.0
  O  O15  1  0.562  0.129  0.751  1.0
  O  O16  1  0.260  0.699  0.988  1.0
  O  O17  1  0.760  0.301  0.012  1.0
  O  O18  1  0.121  0.137  0.845  1.0
  O  O19  1  0.621  0.863  0.155  1.0
[/CIF]
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The material described by MgMo2O7 crystallizes in the monoclinic P2_1 space group. Mg(1) is bonded to one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted MgO5 trigonal bipyramids that share corners with two equivalent Mo(2)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra, and corners with two equivalent Mg(1)O5 trigonal bipyramids. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one Mo(2)O4 tetrahedra and corners with three equivalent Mg(1)O5 trigonal bipyramids. In the second Mo site, Mo(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form MoO4 tetrahedra that share  a cornercorner with one Mo(1)O4 tetrahedra and corners with two equivalent Mg(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Mo(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mg(1) and one Mo(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mg(1) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.798
_cell_length_b   6.459
_cell_length_c   8.202
_cell_angle_alpha   73.105
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   344.592
_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  0.138  0.099  0.357  1.0
  Mg  Mg1  1  0.638  0.901  0.643  1.0
  Mo  Mo2  1  0.143  0.899  0.793  1.0
  Mo  Mo3  1  0.643  0.101  0.207  1.0
  Mo  Mo4  1  0.685  0.365  0.774  1.0
  Mo  Mo5  1  0.185  0.635  0.226  1.0
  O  O6  1  0.377  0.579  0.367  1.0
  O  O7  1  0.877  0.421  0.633  1.0
  O  O8  1  0.761  0.043  0.415  1.0
  O  O9  1  0.261  0.957  0.585  1.0
  O  O10  1  0.030  0.401  0.278  1.0
  O  O11  1  0.530  0.599  0.722  1.0
  O  O12  1  0.398  0.187  0.232  1.0
  O  O13  1  0.898  0.813  0.768  1.0
  O  O14  1  0.062  0.871  0.249  1.0
  O  O15  1  0.562  0.129  0.751  1.0
  O  O16  1  0.260  0.699  0.988  1.0
  O  O17  1  0.760  0.301  0.012  1.0
  O  O18  1  0.121  0.137  0.845  1.0
  O  O19  1  0.621  0.863  0.155  1.0
[/CIF]
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