The material structure described by MgV2(PO5)2 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted MgO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent V(1)O5 trigonal bipyramids, and edges with two equivalent V(1)O5 trigonal bipyramids. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 57-58°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.777
_cell_length_b   5.777
_cell_length_c   6.369
_cell_angle_alpha   85.153
_cell_angle_beta   85.153
_cell_angle_gamma   66.276
_symmetry_Int_Tables_number   1
_cell_volume   193.571
_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  0.281  0.719  0.000  1.0
  V  V1  1  0.200  0.211  0.248  1.0
  V  V2  1  0.789  0.800  0.752  1.0
  P  P3  1  0.262  0.250  0.747  1.0
  P  P4  1  0.750  0.738  0.253  1.0
  O  O5  1  0.352  0.398  0.191  1.0
  O  O6  1  0.602  0.648  0.809  1.0
  O  O7  1  0.166  0.175  0.558  1.0
  O  O8  1  0.825  0.834  0.442  1.0
  O  O9  1  0.155  0.545  0.763  1.0
  O  O10  1  0.552  0.154  0.743  1.0
  O  O11  1  0.846  0.448  0.257  1.0
  O  O12  1  0.455  0.845  0.237  1.0
  O  O13  1  0.874  0.834  0.053  1.0
  O  O14  1  0.166  0.126  0.947  1.0
[/CIF]
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The material structure described by MgV2(PO5)2 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted MgO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent V(1)O5 trigonal bipyramids, and edges with two equivalent V(1)O5 trigonal bipyramids. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 57-58°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.777
_cell_length_b   5.777
_cell_length_c   6.369
_cell_angle_alpha   85.153
_cell_angle_beta   85.153
_cell_angle_gamma   66.276
_symmetry_Int_Tables_number   1
_cell_volume   193.571
_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  0.281  0.719  0.000  1.0
  V  V1  1  0.200  0.211  0.248  1.0
  V  V2  1  0.789  0.800  0.752  1.0
  P  P3  1  0.262  0.250  0.747  1.0
  P  P4  1  0.750  0.738  0.253  1.0
  O  O5  1  0.352  0.398  0.191  1.0
  O  O6  1  0.602  0.648  0.809  1.0
  O  O7  1  0.166  0.175  0.558  1.0
  O  O8  1  0.825  0.834  0.442  1.0
  O  O9  1  0.155  0.545  0.763  1.0
  O  O10  1  0.552  0.154  0.743  1.0
  O  O11  1  0.846  0.448  0.257  1.0
  O  O12  1  0.455  0.845  0.237  1.0
  O  O13  1  0.874  0.834  0.053  1.0
  O  O14  1  0.166  0.126  0.947  1.0
[/CIF]
.