The compound described by MgVP2O7 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) 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 6-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to 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 2-coordinate geometry to two equivalent Mg(1) and two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_MgVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.402
_cell_length_b   5.402
_cell_length_c   4.920
_cell_angle_alpha   83.956
_cell_angle_beta   96.044
_cell_angle_gamma   79.904
_symmetry_Int_Tables_number   1
_cell_volume   139.436
_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  0.528  0.528  0.000  1.0
  V  V1  1  0.112  0.112  0.000  1.0
  P  P2  1  0.667  0.246  0.438  1.0
  P  P3  1  0.246  0.667  0.562  1.0
  O  O4  1  0.781  0.096  0.710  1.0
  O  O5  1  0.331  0.846  0.768  1.0
  O  O6  1  0.175  0.449  0.742  1.0
  O  O7  1  0.096  0.781  0.290  1.0
  O  O8  1  0.541  0.541  0.500  1.0
  O  O9  1  0.449  0.175  0.258  1.0
  O  O10  1  0.846  0.331  0.232  1.0
[/CIF]
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The compound described by MgVP2O7 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) 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 6-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to 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 2-coordinate geometry to two equivalent Mg(1) and two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_MgVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.402
_cell_length_b   5.402
_cell_length_c   4.920
_cell_angle_alpha   83.956
_cell_angle_beta   96.044
_cell_angle_gamma   79.904
_symmetry_Int_Tables_number   1
_cell_volume   139.436
_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  0.528  0.528  0.000  1.0
  V  V1  1  0.112  0.112  0.000  1.0
  P  P2  1  0.667  0.246  0.438  1.0
  P  P3  1  0.246  0.667  0.562  1.0
  O  O4  1  0.781  0.096  0.710  1.0
  O  O5  1  0.331  0.846  0.768  1.0
  O  O6  1  0.175  0.449  0.742  1.0
  O  O7  1  0.096  0.781  0.290  1.0
  O  O8  1  0.541  0.541  0.500  1.0
  O  O9  1  0.449  0.175  0.258  1.0
  O  O10  1  0.846  0.331  0.232  1.0
[/CIF]
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