The structure described by MgV2(PO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(6), one O(7), one O(8), and one O(9) atom to form distorted MgO6 pentagonal pyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(3), one O(6), 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, and edges with two equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 28-39°. In the second V site, V(2) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Mg(1)O6 pentagonal pyramid, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 28-39°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) 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)O6 pentagonal pyramid, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 30-53°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(7), 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 corners with two equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 18-49°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), 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(2), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a 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(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(1), and one V(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. is represented by the CIF file [CIF]
data_MgV2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.392
_cell_length_b   5.266
_cell_length_c   7.376
_cell_angle_alpha   109.778
_cell_angle_beta   110.861
_cell_angle_gamma   97.181
_symmetry_Int_Tables_number   1
_cell_volume   176.859
_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  0.397  0.527  0.274  1.0
  V  V1  1  0.992  0.496  0.499  1.0
  V  V2  1  0.507  0.987  0.986  1.0
  P  P3  1  0.118  0.925  0.249  1.0
  P  P4  1  0.887  0.085  0.750  1.0
  O  O5  1  0.159  0.764  0.395  1.0
  O  O6  1  0.324  0.834  0.152  1.0
  O  O7  1  0.881  0.242  0.608  1.0
  O  O8  1  0.682  0.157  0.848  1.0
  O  O9  1  0.815  0.833  0.089  1.0
  O  O10  1  0.210  0.253  0.372  1.0
  O  O11  1  0.182  0.173  0.934  1.0
  O  O12  1  0.784  0.763  0.598  1.0
  O  O13  1  0.684  0.336  0.243  1.0
  O  O14  1  0.302  0.686  0.753  1.0
[/CIF]
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The structure described by MgV2(PO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(6), one O(7), one O(8), and one O(9) atom to form distorted MgO6 pentagonal pyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(3), one O(6), 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, and edges with two equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 28-39°. In the second V site, V(2) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Mg(1)O6 pentagonal pyramid, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 28-39°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) 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)O6 pentagonal pyramid, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 30-53°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(7), 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 corners with two equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 18-49°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), 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(2), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a 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(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(1), and one V(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. is represented by the CIF file [CIF]
data_MgV2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.392
_cell_length_b   5.266
_cell_length_c   7.376
_cell_angle_alpha   109.778
_cell_angle_beta   110.861
_cell_angle_gamma   97.181
_symmetry_Int_Tables_number   1
_cell_volume   176.859
_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  0.397  0.527  0.274  1.0
  V  V1  1  0.992  0.496  0.499  1.0
  V  V2  1  0.507  0.987  0.986  1.0
  P  P3  1  0.118  0.925  0.249  1.0
  P  P4  1  0.887  0.085  0.750  1.0
  O  O5  1  0.159  0.764  0.395  1.0
  O  O6  1  0.324  0.834  0.152  1.0
  O  O7  1  0.881  0.242  0.608  1.0
  O  O8  1  0.682  0.157  0.848  1.0
  O  O9  1  0.815  0.833  0.089  1.0
  O  O10  1  0.210  0.253  0.372  1.0
  O  O11  1  0.182  0.173  0.934  1.0
  O  O12  1  0.784  0.763  0.598  1.0
  O  O13  1  0.684  0.336  0.243  1.0
  O  O14  1  0.302  0.686  0.753  1.0
[/CIF]
.