The material structure described by MgV2Pb(OF4)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form MgF6 octahedra that share corners with two equivalent Pb(1)O2F4 octahedra, corners with two equivalent V(1)OF4 trigonal bipyramids, and edges with two equivalent V(1)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 64°. V(1) is bonded to one O(1), one F(1), one F(2), one F(3), and one F(4) atom to form distorted VOF4 trigonal bipyramids that share  a cornercorner with one Mg(1)F6 octahedra, corners with three equivalent Pb(1)O2F4 octahedra, and  an edgeedge with one Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 6-42°. Pb(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form PbO2F4 octahedra that share corners with two equivalent Mg(1)F6 octahedra and corners with six equivalent V(1)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 64°. O(1) is bonded in a distorted single-bond geometry to one V(1) and one Pb(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees 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(1), and one Pb(1) atom. In the third F site, F(3) is bonded in a water-like geometry to one Mg(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(1) atom. is represented by the CIF file [CIF]
data_MgV2Pb(OF4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.471
_cell_length_b   7.758
_cell_length_c   6.687
_cell_angle_alpha   109.568
_cell_angle_beta   114.719
_cell_angle_gamma   84.403
_symmetry_Int_Tables_number   1
_cell_volume   242.613
_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  0.000  0.500  0.000  1.0
  V  V1  1  0.313  0.292  0.706  1.0
  V  V2  1  0.687  0.708  0.294  1.0
  Pb  Pb3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.170  0.182  0.425  1.0
  O  O5  1  0.830  0.818  0.575  1.0
  F  F6  1  0.563  0.135  0.849  1.0
  F  F7  1  0.437  0.865  0.151  1.0
  F  F8  1  0.106  0.241  0.868  1.0
  F  F9  1  0.894  0.759  0.132  1.0
  F  F10  1  0.135  0.520  0.774  1.0
  F  F11  1  0.865  0.480  0.226  1.0
  F  F12  1  0.615  0.441  0.769  1.0
  F  F13  1  0.385  0.559  0.231  1.0
[/CIF]
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The material structure described by MgV2Pb(OF4)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form MgF6 octahedra that share corners with two equivalent Pb(1)O2F4 octahedra, corners with two equivalent V(1)OF4 trigonal bipyramids, and edges with two equivalent V(1)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 64°. V(1) is bonded to one O(1), one F(1), one F(2), one F(3), and one F(4) atom to form distorted VOF4 trigonal bipyramids that share  a cornercorner with one Mg(1)F6 octahedra, corners with three equivalent Pb(1)O2F4 octahedra, and  an edgeedge with one Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 6-42°. Pb(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form PbO2F4 octahedra that share corners with two equivalent Mg(1)F6 octahedra and corners with six equivalent V(1)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 64°. O(1) is bonded in a distorted single-bond geometry to one V(1) and one Pb(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees 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(1), and one Pb(1) atom. In the third F site, F(3) is bonded in a water-like geometry to one Mg(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(1) atom. is represented by the CIF file [CIF]
data_MgV2Pb(OF4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.471
_cell_length_b   7.758
_cell_length_c   6.687
_cell_angle_alpha   109.568
_cell_angle_beta   114.719
_cell_angle_gamma   84.403
_symmetry_Int_Tables_number   1
_cell_volume   242.613
_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  0.000  0.500  0.000  1.0
  V  V1  1  0.313  0.292  0.706  1.0
  V  V2  1  0.687  0.708  0.294  1.0
  Pb  Pb3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.170  0.182  0.425  1.0
  O  O5  1  0.830  0.818  0.575  1.0
  F  F6  1  0.563  0.135  0.849  1.0
  F  F7  1  0.437  0.865  0.151  1.0
  F  F8  1  0.106  0.241  0.868  1.0
  F  F9  1  0.894  0.759  0.132  1.0
  F  F10  1  0.135  0.520  0.774  1.0
  F  F11  1  0.865  0.480  0.226  1.0
  F  F12  1  0.615  0.441  0.769  1.0
  F  F13  1  0.385  0.559  0.231  1.0
[/CIF]
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