The material structure described by MgV2P2(HO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(7) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 50°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-50°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-51°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mg(1), one V(1), one V(2), and one H(2) 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(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one H(1) atom. is represented by the CIF file [CIF]
data_MgV2P2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.455
_cell_length_b   7.446
_cell_length_c   5.265
_cell_angle_alpha   109.609
_cell_angle_beta   95.917
_cell_angle_gamma   108.120
_symmetry_Int_Tables_number   1
_cell_volume   186.271
_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  0.417  0.725  0.745  1.0
  V  V1  1  0.010  0.488  1.000  1.0
  V  V2  1  0.032  0.016  0.014  1.0
  P  P3  1  0.391  0.248  0.671  1.0
  P  P4  1  0.657  0.751  0.329  1.0
  H  H5  1  0.818  0.264  0.258  1.0
  H  H6  1  0.955  0.658  0.661  1.0
  O  O7  1  0.076  0.727  0.847  1.0
  O  O8  1  0.281  0.428  0.747  1.0
  O  O9  1  0.354  0.644  0.314  1.0
  O  O10  1  0.258  0.090  0.375  1.0
  O  O11  1  0.344  0.141  0.876  1.0
  O  O12  1  0.683  0.859  0.123  1.0
  O  O13  1  0.750  0.896  0.642  1.0
  O  O14  1  0.693  0.345  0.689  1.0
  O  O15  1  0.807  0.603  0.280  1.0
  O  O16  1  0.937  0.259  0.130  1.0
[/CIF]
.
The material structure described by MgV2P2(HO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(7) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 50°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-50°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-51°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mg(1), one V(1), one V(2), and one H(2) 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(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one H(1) atom. is represented by the CIF file [CIF]
data_MgV2P2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.455
_cell_length_b   7.446
_cell_length_c   5.265
_cell_angle_alpha   109.609
_cell_angle_beta   95.917
_cell_angle_gamma   108.120
_symmetry_Int_Tables_number   1
_cell_volume   186.271
_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  0.417  0.725  0.745  1.0
  V  V1  1  0.010  0.488  1.000  1.0
  V  V2  1  0.032  0.016  0.014  1.0
  P  P3  1  0.391  0.248  0.671  1.0
  P  P4  1  0.657  0.751  0.329  1.0
  H  H5  1  0.818  0.264  0.258  1.0
  H  H6  1  0.955  0.658  0.661  1.0
  O  O7  1  0.076  0.727  0.847  1.0
  O  O8  1  0.281  0.428  0.747  1.0
  O  O9  1  0.354  0.644  0.314  1.0
  O  O10  1  0.258  0.090  0.375  1.0
  O  O11  1  0.344  0.141  0.876  1.0
  O  O12  1  0.683  0.859  0.123  1.0
  O  O13  1  0.750  0.896  0.642  1.0
  O  O14  1  0.693  0.345  0.689  1.0
  O  O15  1  0.807  0.603  0.280  1.0
  O  O16  1  0.937  0.259  0.130  1.0
[/CIF]
.