The crystal structure described by MgMoP2O7 crystallizes in the monoclinic C2 space group. Mg(1) 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 six equivalent P(1)O4 tetrahedra. Mo(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.531
_cell_length_b   5.529
_cell_length_c   4.604
_cell_angle_alpha   81.356
_cell_angle_beta   98.679
_cell_angle_gamma   76.928
_symmetry_Int_Tables_number   1
_cell_volume   133.062
_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  0.772  0.778  0.007  1.0
  Mo  Mo1  1  0.152  0.158  0.007  1.0
  P  P2  1  0.248  0.656  0.593  1.0
  P  P3  1  0.650  0.253  0.420  1.0
  O  O4  1  0.386  0.392  0.506  1.0
  O  O5  1  0.074  0.567  0.796  1.0
  O  O6  1  0.093  0.821  0.292  1.0
  O  O7  1  0.440  0.776  0.744  1.0
  O  O8  1  0.814  0.099  0.721  1.0
  O  O9  1  0.770  0.445  0.268  1.0
  O  O10  1  0.561  0.080  0.217  1.0
[/CIF]
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The crystal structure described by MgMoP2O7 crystallizes in the monoclinic C2 space group. Mg(1) 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 six equivalent P(1)O4 tetrahedra. Mo(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.531
_cell_length_b   5.529
_cell_length_c   4.604
_cell_angle_alpha   81.356
_cell_angle_beta   98.679
_cell_angle_gamma   76.928
_symmetry_Int_Tables_number   1
_cell_volume   133.062
_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  0.772  0.778  0.007  1.0
  Mo  Mo1  1  0.152  0.158  0.007  1.0
  P  P2  1  0.248  0.656  0.593  1.0
  P  P3  1  0.650  0.253  0.420  1.0
  O  O4  1  0.386  0.392  0.506  1.0
  O  O5  1  0.074  0.567  0.796  1.0
  O  O6  1  0.093  0.821  0.292  1.0
  O  O7  1  0.440  0.776  0.744  1.0
  O  O8  1  0.814  0.099  0.721  1.0
  O  O9  1  0.770  0.445  0.268  1.0
  O  O10  1  0.561  0.080  0.217  1.0
[/CIF]
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