The crystal structure described by MgV2Pb(OF4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one F(2), one F(3), one F(4), and one F(6) atom to form distorted MgO2F4 octahedra that share  a cornercorner with one V(2)OF5 octahedra and  a faceface with one V(2)OF5 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(3), one F(5), one F(7), and one F(8) atom. In the second V site, V(2) is bonded to one O(2), one F(2), one F(4), one F(6), one F(7), and one F(8) atom to form distorted VOF5 octahedra that share  a cornercorner with one Mg(1)O2F4 octahedra and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 53°. Pb(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Mg(1) and one V(2) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one V(1) and one Pb(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one Pb(1) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Mg(1), one V(1), and one Pb(1) atom. In the fourth F site, F(4) is bonded in a distorted L-shaped geometry to one Mg(1), one V(2), and one Pb(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one Pb(1) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(2) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one Pb(1) atom. In the eighth F site, F(8) is bonded in a water-like geometry to one V(1) and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2Pb(OF4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.162
_cell_length_b   5.819
_cell_length_c   7.232
_cell_angle_alpha   104.455
_cell_angle_beta   105.590
_cell_angle_gamma   90.637
_symmetry_Int_Tables_number   1
_cell_volume   201.894
_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  0.735  0.129  0.422  1.0
  V  V1  1  0.378  0.360  0.762  1.0
  V  V2  1  0.630  0.641  0.245  1.0
  Pb  Pb3  1  0.995  0.947  0.949  1.0
  O  O4  1  0.471  0.306  0.554  1.0
  O  O5  1  0.628  0.763  0.476  1.0
  F  F6  1  0.531  0.102  0.861  1.0
  F  F7  1  0.445  0.928  0.174  1.0
  F  F8  1  0.025  0.173  0.675  1.0
  F  F9  1  0.943  0.874  0.281  1.0
  F  F10  1  0.164  0.628  0.752  1.0
  F  F11  1  0.819  0.360  0.285  1.0
  F  F12  1  0.688  0.579  0.949  1.0
  F  F13  1  0.311  0.436  0.073  1.0
[/CIF]
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The crystal structure described by MgV2Pb(OF4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one F(2), one F(3), one F(4), and one F(6) atom to form distorted MgO2F4 octahedra that share  a cornercorner with one V(2)OF5 octahedra and  a faceface with one V(2)OF5 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(3), one F(5), one F(7), and one F(8) atom. In the second V site, V(2) is bonded to one O(2), one F(2), one F(4), one F(6), one F(7), and one F(8) atom to form distorted VOF5 octahedra that share  a cornercorner with one Mg(1)O2F4 octahedra and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 53°. Pb(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Mg(1) and one V(2) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one V(1) and one Pb(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one Pb(1) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Mg(1), one V(1), and one Pb(1) atom. In the fourth F site, F(4) is bonded in a distorted L-shaped geometry to one Mg(1), one V(2), and one Pb(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one Pb(1) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(2) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one Pb(1) atom. In the eighth F site, F(8) is bonded in a water-like geometry to one V(1) and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2Pb(OF4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.162
_cell_length_b   5.819
_cell_length_c   7.232
_cell_angle_alpha   104.455
_cell_angle_beta   105.590
_cell_angle_gamma   90.637
_symmetry_Int_Tables_number   1
_cell_volume   201.894
_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  0.735  0.129  0.422  1.0
  V  V1  1  0.378  0.360  0.762  1.0
  V  V2  1  0.630  0.641  0.245  1.0
  Pb  Pb3  1  0.995  0.947  0.949  1.0
  O  O4  1  0.471  0.306  0.554  1.0
  O  O5  1  0.628  0.763  0.476  1.0
  F  F6  1  0.531  0.102  0.861  1.0
  F  F7  1  0.445  0.928  0.174  1.0
  F  F8  1  0.025  0.173  0.675  1.0
  F  F9  1  0.943  0.874  0.281  1.0
  F  F10  1  0.164  0.628  0.752  1.0
  F  F11  1  0.819  0.360  0.285  1.0
  F  F12  1  0.688  0.579  0.949  1.0
  F  F13  1  0.311  0.436  0.073  1.0
[/CIF]
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