The material structure described by Mg2V2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(6) atoms to form MgO6 octahedra that share  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 35°. In the second Mg site, Mg(2) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with five equivalent V(1)O4 tetrahedra, and edges with two equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra and corners with five equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-59°. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), and two equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mg(2) and one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(2), and one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mg(2) and one V(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(2), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent V(2) atoms. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2V2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.950
_cell_length_b   5.407
_cell_length_c   10.561
_cell_angle_alpha   101.236
_cell_angle_beta   102.172
_cell_angle_gamma   98.621
_symmetry_Int_Tables_number   1
_cell_volume   265.559
_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  0.513  0.790  0.085  1.0
  Mg  Mg1  1  0.487  0.210  0.915  1.0
  Mg  Mg2  1  0.425  0.212  0.417  1.0
  Mg  Mg3  1  0.575  0.788  0.583  1.0
  V  V4  1  0.037  0.351  0.641  1.0
  V  V5  1  0.963  0.649  0.359  1.0
  V  V6  1  0.855  0.796  0.865  1.0
  V  V7  1  0.145  0.204  0.135  1.0
  O  O8  1  0.293  0.446  0.563  1.0
  O  O9  1  0.707  0.554  0.437  1.0
  O  O10  1  0.625  0.959  0.784  1.0
  O  O11  1  0.375  0.041  0.216  1.0
  O  O12  1  0.763  0.116  0.540  1.0
  O  O13  1  0.237  0.884  0.460  1.0
  O  O14  1  0.309  0.424  0.068  1.0
  O  O15  1  0.691  0.576  0.932  1.0
  O  O16  1  0.902  0.627  0.710  1.0
  O  O17  1  0.098  0.373  0.290  1.0
  O  O18  1  0.208  0.923  0.959  1.0
  O  O19  1  0.792  0.077  0.041  1.0
  O  O20  1  0.177  0.238  0.769  1.0
  O  O21  1  0.823  0.762  0.231  1.0
[/CIF]
.
The material structure described by Mg2V2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(6) atoms to form MgO6 octahedra that share  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 35°. In the second Mg site, Mg(2) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with five equivalent V(1)O4 tetrahedra, and edges with two equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra and corners with five equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-59°. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), and two equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mg(2) and one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(2), and one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mg(2) and one V(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(2), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent V(2) atoms. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2V2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.950
_cell_length_b   5.407
_cell_length_c   10.561
_cell_angle_alpha   101.236
_cell_angle_beta   102.172
_cell_angle_gamma   98.621
_symmetry_Int_Tables_number   1
_cell_volume   265.559
_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  0.513  0.790  0.085  1.0
  Mg  Mg1  1  0.487  0.210  0.915  1.0
  Mg  Mg2  1  0.425  0.212  0.417  1.0
  Mg  Mg3  1  0.575  0.788  0.583  1.0
  V  V4  1  0.037  0.351  0.641  1.0
  V  V5  1  0.963  0.649  0.359  1.0
  V  V6  1  0.855  0.796  0.865  1.0
  V  V7  1  0.145  0.204  0.135  1.0
  O  O8  1  0.293  0.446  0.563  1.0
  O  O9  1  0.707  0.554  0.437  1.0
  O  O10  1  0.625  0.959  0.784  1.0
  O  O11  1  0.375  0.041  0.216  1.0
  O  O12  1  0.763  0.116  0.540  1.0
  O  O13  1  0.237  0.884  0.460  1.0
  O  O14  1  0.309  0.424  0.068  1.0
  O  O15  1  0.691  0.576  0.932  1.0
  O  O16  1  0.902  0.627  0.710  1.0
  O  O17  1  0.098  0.373  0.290  1.0
  O  O18  1  0.208  0.923  0.959  1.0
  O  O19  1  0.792  0.077  0.041  1.0
  O  O20  1  0.177  0.238  0.769  1.0
  O  O21  1  0.823  0.762  0.231  1.0
[/CIF]
.