The material structure described by MgV4P2O13 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(12), one O(13), one O(2), and one O(5) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one P(1)O4 tetrahedra,  an edgeedge with one V(1)O5 trigonal bipyramid, and edges with two equivalent V(3)O5 trigonal bipyramids. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(12), one O(4), one O(5), and one O(7) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one V(4)O6 octahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one V(3)O5 trigonal bipyramid,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 32°. 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 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(4)O6 octahedra, and  an edgeedge with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-33°. In the third V site, V(3) is bonded to one O(11), one O(13), one O(2), one O(5), and one O(9) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one V(4)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one V(1)O5 trigonal bipyramid, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. 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 P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(3)O5 trigonal bipyramid, corners with two equivalent V(2)O5 trigonal bipyramids, and  an edgeedge with one V(2)O5 trigonal bipyramid. 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(4)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, corners with three equivalent V(3)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 52°. 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,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, and corners with three equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 26°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one P(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(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 bent 150 degrees geometry to 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 3-coordinate 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 T-shaped geometry to one Mg(1), one V(3), and one P(1) atom. is represented by the CIF card [CIF]
data_MgV4P2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.264
_cell_length_b   5.011
_cell_length_c   10.103
_cell_angle_alpha   100.901
_cell_angle_beta   103.008
_cell_angle_gamma   83.192
_symmetry_Int_Tables_number   1
_cell_volume   254.168
_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  0.017  0.446  0.850  1.0
  V  V1  1  0.293  0.090  0.633  1.0
  V  V2  1  0.011  0.877  0.344  1.0
  V  V3  1  0.553  0.469  0.988  1.0
  V  V4  1  0.412  0.261  0.291  1.0
  P  P5  1  0.011  0.939  0.019  1.0
  P  P6  1  0.786  0.644  0.563  1.0
  O  O7  1  0.993  0.831  0.542  1.0
  O  O8  1  0.232  0.778  0.952  1.0
  O  O9  1  0.126  0.546  0.296  1.0
  O  O10  1  0.256  0.129  0.443  1.0
  O  O11  1  0.367  0.276  0.819  1.0
  O  O12  1  0.103  0.012  0.178  1.0
  O  O13  1  0.599  0.822  0.648  1.0
  O  O14  1  0.649  0.515  0.421  1.0
  O  O15  1  0.476  0.363  0.132  1.0
  O  O16  1  0.662  0.983  0.297  1.0
  O  O17  1  0.905  0.202  0.958  1.0
  O  O18  1  0.935  0.426  0.649  1.0
  O  O19  1  0.792  0.738  0.978  1.0
[/CIF]
.
The material structure described by MgV4P2O13 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(12), one O(13), one O(2), and one O(5) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one P(1)O4 tetrahedra,  an edgeedge with one V(1)O5 trigonal bipyramid, and edges with two equivalent V(3)O5 trigonal bipyramids. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(12), one O(4), one O(5), and one O(7) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one V(4)O6 octahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one V(3)O5 trigonal bipyramid,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 32°. 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 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(4)O6 octahedra, and  an edgeedge with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-33°. In the third V site, V(3) is bonded to one O(11), one O(13), one O(2), one O(5), and one O(9) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one V(4)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one V(1)O5 trigonal bipyramid, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. 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 P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(3)O5 trigonal bipyramid, corners with two equivalent V(2)O5 trigonal bipyramids, and  an edgeedge with one V(2)O5 trigonal bipyramid. 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(4)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, corners with three equivalent V(3)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 52°. 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,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, and corners with three equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 26°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one P(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(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 bent 150 degrees geometry to 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 3-coordinate 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 T-shaped geometry to one Mg(1), one V(3), and one P(1) atom. is represented by the CIF card [CIF]
data_MgV4P2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.264
_cell_length_b   5.011
_cell_length_c   10.103
_cell_angle_alpha   100.901
_cell_angle_beta   103.008
_cell_angle_gamma   83.192
_symmetry_Int_Tables_number   1
_cell_volume   254.168
_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  0.017  0.446  0.850  1.0
  V  V1  1  0.293  0.090  0.633  1.0
  V  V2  1  0.011  0.877  0.344  1.0
  V  V3  1  0.553  0.469  0.988  1.0
  V  V4  1  0.412  0.261  0.291  1.0
  P  P5  1  0.011  0.939  0.019  1.0
  P  P6  1  0.786  0.644  0.563  1.0
  O  O7  1  0.993  0.831  0.542  1.0
  O  O8  1  0.232  0.778  0.952  1.0
  O  O9  1  0.126  0.546  0.296  1.0
  O  O10  1  0.256  0.129  0.443  1.0
  O  O11  1  0.367  0.276  0.819  1.0
  O  O12  1  0.103  0.012  0.178  1.0
  O  O13  1  0.599  0.822  0.648  1.0
  O  O14  1  0.649  0.515  0.421  1.0
  O  O15  1  0.476  0.363  0.132  1.0
  O  O16  1  0.662  0.983  0.297  1.0
  O  O17  1  0.905  0.202  0.958  1.0
  O  O18  1  0.935  0.426  0.649  1.0
  O  O19  1  0.792  0.738  0.978  1.0
[/CIF]
.