The crystal structure described by MgV3OF11 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one F(1), one F(11), one F(6), one F(8), and one F(9) atom to form MgF5 trigonal bipyramids that share  a cornercorner with one V(1)OF5 octahedra,  a cornercorner with one V(2)OF5 octahedra, corners with two equivalent V(3)F6 octahedra, and  an edgeedge with one V(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-58°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(1), one F(10), one F(11), one F(3), and one F(8) atom to form VOF5 octahedra that share corners with two equivalent V(3)F6 octahedra, corners with two equivalent V(2)OF5 octahedra,  a cornercorner with one Mg(1)F5 trigonal bipyramid, and  an edgeedge with one Mg(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-42°. In the second V site, V(2) is bonded to one O(1), one F(2), one F(3), one F(4), one F(6), and one F(7) atom to form VOF5 octahedra that share corners with two equivalent V(1)OF5 octahedra,  a cornercorner with one Mg(1)F5 trigonal bipyramid, and  an edgeedge with one V(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 22-28°. In the third V site, V(3) is bonded to one F(10), one F(4), one F(5), one F(7), one F(8), and one F(9) atom to form VF6 octahedra that share corners with two equivalent V(1)OF5 octahedra, corners with two equivalent Mg(1)F5 trigonal bipyramids, and  an edgeedge with one V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-42°. O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Mg(1) and one V(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one V(2) and one V(3) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one V(3) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(2) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one V(2) and one V(3) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(3) atom. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(3) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV3OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.333
_cell_length_b   6.029
_cell_length_c   5.252
_cell_angle_alpha   95.577
_cell_angle_beta   101.026
_cell_angle_gamma   94.820
_symmetry_Int_Tables_number   1
_cell_volume   225.592
_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  0.803  0.501  0.893  1.0
  V  V1  1  0.015  0.991  0.023  1.0
  V  V2  1  0.357  0.173  0.593  1.0
  V  V3  1  0.625  0.841  0.403  1.0
  O  O4  1  0.161  0.013  0.319  1.0
  F  F5  1  0.038  0.695  0.883  1.0
  F  F6  1  0.282  0.429  0.509  1.0
  F  F7  1  0.207  0.136  0.853  1.0
  F  F8  1  0.451  0.895  0.664  1.0
  F  F9  1  0.439  0.694  0.152  1.0
  F  F10  1  0.560  0.320  0.855  1.0
  F  F11  1  0.534  0.144  0.357  1.0
  F  F12  1  0.794  0.811  0.119  1.0
  F  F13  1  0.719  0.578  0.540  1.0
  F  F14  1  0.842  0.010  0.676  1.0
  F  F15  1  0.925  0.283  0.090  1.0
[/CIF]
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The crystal structure described by MgV3OF11 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one F(1), one F(11), one F(6), one F(8), and one F(9) atom to form MgF5 trigonal bipyramids that share  a cornercorner with one V(1)OF5 octahedra,  a cornercorner with one V(2)OF5 octahedra, corners with two equivalent V(3)F6 octahedra, and  an edgeedge with one V(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-58°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(1), one F(10), one F(11), one F(3), and one F(8) atom to form VOF5 octahedra that share corners with two equivalent V(3)F6 octahedra, corners with two equivalent V(2)OF5 octahedra,  a cornercorner with one Mg(1)F5 trigonal bipyramid, and  an edgeedge with one Mg(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-42°. In the second V site, V(2) is bonded to one O(1), one F(2), one F(3), one F(4), one F(6), and one F(7) atom to form VOF5 octahedra that share corners with two equivalent V(1)OF5 octahedra,  a cornercorner with one Mg(1)F5 trigonal bipyramid, and  an edgeedge with one V(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 22-28°. In the third V site, V(3) is bonded to one F(10), one F(4), one F(5), one F(7), one F(8), and one F(9) atom to form VF6 octahedra that share corners with two equivalent V(1)OF5 octahedra, corners with two equivalent Mg(1)F5 trigonal bipyramids, and  an edgeedge with one V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-42°. O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Mg(1) and one V(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one V(2) and one V(3) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one V(3) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(2) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one V(2) and one V(3) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(3) atom. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(3) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV3OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.333
_cell_length_b   6.029
_cell_length_c   5.252
_cell_angle_alpha   95.577
_cell_angle_beta   101.026
_cell_angle_gamma   94.820
_symmetry_Int_Tables_number   1
_cell_volume   225.592
_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  0.803  0.501  0.893  1.0
  V  V1  1  0.015  0.991  0.023  1.0
  V  V2  1  0.357  0.173  0.593  1.0
  V  V3  1  0.625  0.841  0.403  1.0
  O  O4  1  0.161  0.013  0.319  1.0
  F  F5  1  0.038  0.695  0.883  1.0
  F  F6  1  0.282  0.429  0.509  1.0
  F  F7  1  0.207  0.136  0.853  1.0
  F  F8  1  0.451  0.895  0.664  1.0
  F  F9  1  0.439  0.694  0.152  1.0
  F  F10  1  0.560  0.320  0.855  1.0
  F  F11  1  0.534  0.144  0.357  1.0
  F  F12  1  0.794  0.811  0.119  1.0
  F  F13  1  0.719  0.578  0.540  1.0
  F  F14  1  0.842  0.010  0.676  1.0
  F  F15  1  0.925  0.283  0.090  1.0
[/CIF]
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