The material structure described by MgV2(PO5)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted MgO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra and faces 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 corners with four equivalent P(1)O4 tetrahedra and  a faceface with one Mg(1)O6 octahedra. 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 two equivalent Mg(1)O6 octahedra and corners with four equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-52°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 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 linear geometry to one V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Mg(1) and one V(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   4.910
_cell_length_b   6.376
_cell_length_c   6.346
_cell_angle_alpha   91.686
_cell_angle_beta   88.882
_cell_angle_gamma   91.654
_symmetry_Int_Tables_number   1
_cell_volume   198.449
_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  0.500  0.000  0.500  1.0
  V  V1  1  0.746  0.740  0.755  1.0
  V  V2  1  0.254  0.260  0.245  1.0
  P  P3  1  0.996  0.249  0.750  1.0
  P  P4  1  0.004  0.751  0.250  1.0
  O  O5  1  0.843  0.451  0.720  1.0
  O  O6  1  0.783  0.064  0.734  1.0
  O  O7  1  0.853  0.757  0.044  1.0
  O  O8  1  0.791  0.778  0.434  1.0
  O  O9  1  0.157  0.549  0.280  1.0
  O  O10  1  0.217  0.936  0.266  1.0
  O  O11  1  0.147  0.243  0.956  1.0
  O  O12  1  0.209  0.222  0.566  1.0
  O  O13  1  0.411  0.759  0.734  1.0
  O  O14  1  0.589  0.241  0.266  1.0
[/CIF]
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The material structure described by MgV2(PO5)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted MgO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra and faces 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 corners with four equivalent P(1)O4 tetrahedra and  a faceface with one Mg(1)O6 octahedra. 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 two equivalent Mg(1)O6 octahedra and corners with four equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-52°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 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 linear geometry to one V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Mg(1) and one V(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   4.910
_cell_length_b   6.376
_cell_length_c   6.346
_cell_angle_alpha   91.686
_cell_angle_beta   88.882
_cell_angle_gamma   91.654
_symmetry_Int_Tables_number   1
_cell_volume   198.449
_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  0.500  0.000  0.500  1.0
  V  V1  1  0.746  0.740  0.755  1.0
  V  V2  1  0.254  0.260  0.245  1.0
  P  P3  1  0.996  0.249  0.750  1.0
  P  P4  1  0.004  0.751  0.250  1.0
  O  O5  1  0.843  0.451  0.720  1.0
  O  O6  1  0.783  0.064  0.734  1.0
  O  O7  1  0.853  0.757  0.044  1.0
  O  O8  1  0.791  0.778  0.434  1.0
  O  O9  1  0.157  0.549  0.280  1.0
  O  O10  1  0.217  0.936  0.266  1.0
  O  O11  1  0.147  0.243  0.956  1.0
  O  O12  1  0.209  0.222  0.566  1.0
  O  O13  1  0.411  0.759  0.734  1.0
  O  O14  1  0.589  0.241  0.266  1.0
[/CIF]
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