The material described by MgV3P3O13 crystallizes in the monoclinic P2_1/m space group. Mg(1) is bonded in a 7-coordinate geometry to one O(9), two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(5), one O(6), one O(9), and two equivalent O(8) atoms to form distorted VO6 octahedra that share corners with two equivalent V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one V(2)O5 trigonal bipyramid, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form distorted VO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third V site, V(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and corners with three equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 34°. In the second P site, P(2) is bonded to one O(10), one O(3), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and  a cornercorner with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-54°. In the third P site, P(3) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent V(3)O6 octahedra,  a cornercorner with one V(2)O5 trigonal bipyramid, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent V(3) and one P(2) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(3) atom. In the third 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 fourth O site, O(3) is bonded in a linear geometry to one V(2) and one P(2) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(3), and one P(3) atom. In the sixth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the eighth O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the ninth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one P(2) atom. In the tenth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(3) atom. is represented by the CIF card [CIF]
data_MgV3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.401
_cell_length_b   7.677
_cell_length_c   10.101
_cell_angle_alpha   79.851
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   488.639
_cell_formula_units_Z   2
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  0.750  0.374  0.185  1.0
  Mg  Mg1  1  0.250  0.626  0.815  1.0
  V  V2  1  0.250  0.642  0.200  1.0
  V  V3  1  0.750  0.358  0.800  1.0
  V  V4  1  0.250  0.219  0.433  1.0
  V  V5  1  0.500  0.000  0.000  1.0
  V  V6  1  0.750  0.781  0.567  1.0
  V  V7  1  0.000  0.000  0.000  1.0
  P  P8  1  0.250  0.784  0.498  1.0
  P  P9  1  0.750  0.216  0.502  1.0
  P  P10  1  0.250  0.272  0.763  1.0
  P  P11  1  0.750  0.728  0.237  1.0
  P  P12  1  0.750  0.679  0.891  1.0
  P  P13  1  0.250  0.321  0.109  1.0
  O  O14  1  0.750  0.631  0.746  1.0
  O  O15  1  0.564  0.251  0.402  1.0
  O  O16  1  0.250  0.227  0.623  1.0
  O  O17  1  0.545  0.783  0.904  1.0
  O  O18  1  0.750  0.340  0.605  1.0
  O  O19  1  0.750  0.120  0.907  1.0
  O  O20  1  0.250  0.660  0.395  1.0
  O  O21  1  0.045  0.217  0.096  1.0
  O  O22  1  0.250  0.976  0.418  1.0
  O  O23  1  0.750  0.024  0.582  1.0
  O  O24  1  0.064  0.392  0.789  1.0
  O  O25  1  0.250  0.880  0.093  1.0
  O  O26  1  0.564  0.608  0.211  1.0
  O  O27  1  0.750  0.489  0.976  1.0
  O  O28  1  0.750  0.773  0.377  1.0
  O  O29  1  0.455  0.217  0.096  1.0
  O  O30  1  0.936  0.251  0.402  1.0
  O  O31  1  0.436  0.749  0.598  1.0
  O  O32  1  0.436  0.392  0.789  1.0
  O  O33  1  0.250  0.369  0.254  1.0
  O  O34  1  0.750  0.903  0.133  1.0
  O  O35  1  0.250  0.097  0.867  1.0
  O  O36  1  0.936  0.608  0.211  1.0
  O  O37  1  0.955  0.783  0.904  1.0
  O  O38  1  0.064  0.749  0.598  1.0
  O  O39  1  0.250  0.511  0.024  1.0
[/CIF]
.
The material described by MgV3P3O13 crystallizes in the monoclinic P2_1/m space group. Mg(1) is bonded in a 7-coordinate geometry to one O(9), two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(5), one O(6), one O(9), and two equivalent O(8) atoms to form distorted VO6 octahedra that share corners with two equivalent V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one V(2)O5 trigonal bipyramid, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form distorted VO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third V site, V(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and corners with three equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 34°. In the second P site, P(2) is bonded to one O(10), one O(3), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and  a cornercorner with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-54°. In the third P site, P(3) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent V(3)O6 octahedra,  a cornercorner with one V(2)O5 trigonal bipyramid, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent V(3) and one P(2) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(3) atom. In the third 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 fourth O site, O(3) is bonded in a linear geometry to one V(2) and one P(2) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(3), and one P(3) atom. In the sixth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the eighth O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the ninth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one P(2) atom. In the tenth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(3) atom. is represented by the CIF card [CIF]
data_MgV3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.401
_cell_length_b   7.677
_cell_length_c   10.101
_cell_angle_alpha   79.851
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   488.639
_cell_formula_units_Z   2
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  0.750  0.374  0.185  1.0
  Mg  Mg1  1  0.250  0.626  0.815  1.0
  V  V2  1  0.250  0.642  0.200  1.0
  V  V3  1  0.750  0.358  0.800  1.0
  V  V4  1  0.250  0.219  0.433  1.0
  V  V5  1  0.500  0.000  0.000  1.0
  V  V6  1  0.750  0.781  0.567  1.0
  V  V7  1  0.000  0.000  0.000  1.0
  P  P8  1  0.250  0.784  0.498  1.0
  P  P9  1  0.750  0.216  0.502  1.0
  P  P10  1  0.250  0.272  0.763  1.0
  P  P11  1  0.750  0.728  0.237  1.0
  P  P12  1  0.750  0.679  0.891  1.0
  P  P13  1  0.250  0.321  0.109  1.0
  O  O14  1  0.750  0.631  0.746  1.0
  O  O15  1  0.564  0.251  0.402  1.0
  O  O16  1  0.250  0.227  0.623  1.0
  O  O17  1  0.545  0.783  0.904  1.0
  O  O18  1  0.750  0.340  0.605  1.0
  O  O19  1  0.750  0.120  0.907  1.0
  O  O20  1  0.250  0.660  0.395  1.0
  O  O21  1  0.045  0.217  0.096  1.0
  O  O22  1  0.250  0.976  0.418  1.0
  O  O23  1  0.750  0.024  0.582  1.0
  O  O24  1  0.064  0.392  0.789  1.0
  O  O25  1  0.250  0.880  0.093  1.0
  O  O26  1  0.564  0.608  0.211  1.0
  O  O27  1  0.750  0.489  0.976  1.0
  O  O28  1  0.750  0.773  0.377  1.0
  O  O29  1  0.455  0.217  0.096  1.0
  O  O30  1  0.936  0.251  0.402  1.0
  O  O31  1  0.436  0.749  0.598  1.0
  O  O32  1  0.436  0.392  0.789  1.0
  O  O33  1  0.250  0.369  0.254  1.0
  O  O34  1  0.750  0.903  0.133  1.0
  O  O35  1  0.250  0.097  0.867  1.0
  O  O36  1  0.936  0.608  0.211  1.0
  O  O37  1  0.955  0.783  0.904  1.0
  O  O38  1  0.064  0.749  0.598  1.0
  O  O39  1  0.250  0.511  0.024  1.0
[/CIF]
.