The crystal structure described by MgVFe(P2O7)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(14), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form distorted MgO6 pentagonal pyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. V(1) is bonded to one O(1), one O(12), one O(2), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. Fe(1) is bonded to one O(10), one O(11), one O(13), one O(3), and one O(9) atom to form FeO5 trigonal bipyramids that share corners with two equivalent Mg(1)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Fe(1)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 44°. In the second P site, P(2) is bonded to one O(14), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mg(1)O6 pentagonal pyramid,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 26°. In the third P site, P(3) is bonded to one O(1), one O(13), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Mg(1)O6 pentagonal pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-44°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Mg(1)O6 pentagonal pyramid,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-46°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one P(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one P(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Mg(1) and one P(2) atom. is represented by the CIF card [CIF]
data_MgVFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.999
_cell_length_b   8.212
_cell_length_c   7.242
_cell_angle_alpha   85.256
_cell_angle_beta   114.499
_cell_angle_gamma   92.568
_symmetry_Int_Tables_number   1
_cell_volume   269.617
_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  0.499  0.872  0.803  1.0
  V  V1  1  0.227  0.491  0.725  1.0
  Fe  Fe2  1  0.765  0.036  0.306  1.0
  P  P3  1  0.400  0.182  0.532  1.0
  P  P4  1  0.211  0.786  0.055  1.0
  P  P5  1  0.824  0.275  0.934  1.0
  P  P6  1  0.603  0.683  0.480  1.0
  O  O7  1  0.082  0.321  0.881  1.0
  O  O8  1  0.229  0.698  0.881  1.0
  O  O9  1  0.203  0.026  0.513  1.0
  O  O10  1  0.252  0.341  0.520  1.0
  O  O11  1  0.442  0.677  0.622  1.0
  O  O12  1  0.629  0.418  0.914  1.0
  O  O13  1  0.630  0.138  0.770  1.0
  O  O14  1  0.350  0.664  0.255  1.0
  O  O15  1  0.420  0.937  0.074  1.0
  O  O16  1  0.575  0.187  0.401  1.0
  O  O17  1  0.738  0.854  0.487  1.0
  O  O18  1  0.819  0.547  0.522  1.0
  O  O19  1  0.907  0.172  0.135  1.0
  O  O20  1  0.904  0.827  0.023  1.0
[/CIF]
.
The crystal structure described by MgVFe(P2O7)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(14), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form distorted MgO6 pentagonal pyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. V(1) is bonded to one O(1), one O(12), one O(2), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. Fe(1) is bonded to one O(10), one O(11), one O(13), one O(3), and one O(9) atom to form FeO5 trigonal bipyramids that share corners with two equivalent Mg(1)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Fe(1)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 44°. In the second P site, P(2) is bonded to one O(14), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mg(1)O6 pentagonal pyramid,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 26°. In the third P site, P(3) is bonded to one O(1), one O(13), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Mg(1)O6 pentagonal pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-44°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Mg(1)O6 pentagonal pyramid,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-46°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one P(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one P(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Mg(1) and one P(2) atom. is represented by the CIF card [CIF]
data_MgVFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.999
_cell_length_b   8.212
_cell_length_c   7.242
_cell_angle_alpha   85.256
_cell_angle_beta   114.499
_cell_angle_gamma   92.568
_symmetry_Int_Tables_number   1
_cell_volume   269.617
_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  0.499  0.872  0.803  1.0
  V  V1  1  0.227  0.491  0.725  1.0
  Fe  Fe2  1  0.765  0.036  0.306  1.0
  P  P3  1  0.400  0.182  0.532  1.0
  P  P4  1  0.211  0.786  0.055  1.0
  P  P5  1  0.824  0.275  0.934  1.0
  P  P6  1  0.603  0.683  0.480  1.0
  O  O7  1  0.082  0.321  0.881  1.0
  O  O8  1  0.229  0.698  0.881  1.0
  O  O9  1  0.203  0.026  0.513  1.0
  O  O10  1  0.252  0.341  0.520  1.0
  O  O11  1  0.442  0.677  0.622  1.0
  O  O12  1  0.629  0.418  0.914  1.0
  O  O13  1  0.630  0.138  0.770  1.0
  O  O14  1  0.350  0.664  0.255  1.0
  O  O15  1  0.420  0.937  0.074  1.0
  O  O16  1  0.575  0.187  0.401  1.0
  O  O17  1  0.738  0.854  0.487  1.0
  O  O18  1  0.819  0.547  0.522  1.0
  O  O19  1  0.907  0.172  0.135  1.0
  O  O20  1  0.904  0.827  0.023  1.0
[/CIF]
.