The material described by MgV4P2O13 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(5), and one O(7) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form distorted VO6 octahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 30°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(3), one O(4), and one O(6) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent V(4)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, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-40°. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(2), one O(5), and one O(9) atom. In the fourth V site, V(4) is bonded to one O(10), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, and  an edgeedge with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 30°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(13), one O(2), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-57°. In the second P site, P(2) is bonded to one O(1), one O(12), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(4)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and  a cornercorner with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-46°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one V(4) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one V(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), 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(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(4) and one P(2) atom. In the ninth O site, O(9) is bonded in a linear geometry to one V(3) and one V(4) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mg(1), one V(3), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one V(3) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4P2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.405
_cell_length_b   5.075
_cell_length_c   9.015
_cell_angle_alpha   95.232
_cell_angle_beta   99.231
_cell_angle_gamma   80.789
_symmetry_Int_Tables_number   1
_cell_volume   240.354
_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  0.747  0.084  0.733  1.0
  V  V1  1  0.244  0.040  0.674  1.0
  V  V2  1  0.021  0.869  0.346  1.0
  V  V3  1  0.564  0.511  0.953  1.0
  V  V4  1  0.399  0.260  0.303  1.0
  P  P5  1  0.030  0.937  0.007  1.0
  P  P6  1  0.760  0.591  0.583  1.0
  O  O7  1  0.944  0.803  0.573  1.0
  O  O8  1  0.236  0.837  0.899  1.0
  O  O9  1  0.104  0.527  0.307  1.0
  O  O10  1  0.270  0.070  0.468  1.0
  O  O11  1  0.432  0.294  0.783  1.0
  O  O12  1  0.164  0.985  0.171  1.0
  O  O13  1  0.587  0.750  0.699  1.0
  O  O14  1  0.605  0.525  0.436  1.0
  O  O15  1  0.469  0.425  0.106  1.0
  O  O16  1  0.707  0.021  0.299  1.0
  O  O17  1  0.887  0.204  0.944  1.0
  O  O18  1  0.917  0.343  0.658  1.0
  O  O19  1  0.839  0.742  0.001  1.0
[/CIF]
.
The material described by MgV4P2O13 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(5), and one O(7) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form distorted VO6 octahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 30°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(3), one O(4), and one O(6) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent V(4)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, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-40°. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(2), one O(5), and one O(9) atom. In the fourth V site, V(4) is bonded to one O(10), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, and  an edgeedge with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 30°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(13), one O(2), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-57°. In the second P site, P(2) is bonded to one O(1), one O(12), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(4)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and  a cornercorner with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-46°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one V(4) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one V(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), 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(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(4) and one P(2) atom. In the ninth O site, O(9) is bonded in a linear geometry to one V(3) and one V(4) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mg(1), one V(3), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one V(3) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4P2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.405
_cell_length_b   5.075
_cell_length_c   9.015
_cell_angle_alpha   95.232
_cell_angle_beta   99.231
_cell_angle_gamma   80.789
_symmetry_Int_Tables_number   1
_cell_volume   240.354
_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  0.747  0.084  0.733  1.0
  V  V1  1  0.244  0.040  0.674  1.0
  V  V2  1  0.021  0.869  0.346  1.0
  V  V3  1  0.564  0.511  0.953  1.0
  V  V4  1  0.399  0.260  0.303  1.0
  P  P5  1  0.030  0.937  0.007  1.0
  P  P6  1  0.760  0.591  0.583  1.0
  O  O7  1  0.944  0.803  0.573  1.0
  O  O8  1  0.236  0.837  0.899  1.0
  O  O9  1  0.104  0.527  0.307  1.0
  O  O10  1  0.270  0.070  0.468  1.0
  O  O11  1  0.432  0.294  0.783  1.0
  O  O12  1  0.164  0.985  0.171  1.0
  O  O13  1  0.587  0.750  0.699  1.0
  O  O14  1  0.605  0.525  0.436  1.0
  O  O15  1  0.469  0.425  0.106  1.0
  O  O16  1  0.707  0.021  0.299  1.0
  O  O17  1  0.887  0.204  0.944  1.0
  O  O18  1  0.917  0.343  0.658  1.0
  O  O19  1  0.839  0.742  0.001  1.0
[/CIF]
.