The material described by MgVP2O7 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. 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 V(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one V(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 V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent P(1) atoms. is represented by the CIF file [CIF]
data_MgVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.490
_cell_length_b   5.490
_cell_length_c   4.641
_cell_angle_alpha   82.846
_cell_angle_beta   97.154
_cell_angle_gamma   75.833
_symmetry_Int_Tables_number   1
_cell_volume   132.804
_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  0.754  0.754  0.500  1.0
  V  V1  1  0.126  0.126  0.000  1.0
  P  P2  1  0.674  0.252  0.402  1.0
  P  P3  1  0.252  0.674  0.598  1.0
  O  O4  1  0.812  0.077  0.692  1.0
  O  O5  1  0.366  0.839  0.786  1.0
  O  O6  1  0.106  0.500  0.743  1.0
  O  O7  1  0.077  0.812  0.308  1.0
  O  O8  1  0.515  0.515  0.500  1.0
  O  O9  1  0.500  0.106  0.257  1.0
  O  O10  1  0.839  0.366  0.214  1.0
[/CIF]
.
The material described by MgVP2O7 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. 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 V(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one V(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 V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent P(1) atoms. is represented by the CIF file [CIF]
data_MgVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.490
_cell_length_b   5.490
_cell_length_c   4.641
_cell_angle_alpha   82.846
_cell_angle_beta   97.154
_cell_angle_gamma   75.833
_symmetry_Int_Tables_number   1
_cell_volume   132.804
_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  0.754  0.754  0.500  1.0
  V  V1  1  0.126  0.126  0.000  1.0
  P  P2  1  0.674  0.252  0.402  1.0
  P  P3  1  0.252  0.674  0.598  1.0
  O  O4  1  0.812  0.077  0.692  1.0
  O  O5  1  0.366  0.839  0.786  1.0
  O  O6  1  0.106  0.500  0.743  1.0
  O  O7  1  0.077  0.812  0.308  1.0
  O  O8  1  0.515  0.515  0.500  1.0
  O  O9  1  0.500  0.106  0.257  1.0
  O  O10  1  0.839  0.366  0.214  1.0
[/CIF]
.