The structure described by MgV4(OF)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(4), one F(2), one F(4), and one F(6) atom to form distorted MgO2F3 trigonal bipyramids that share corners with two equivalent V(3)O3F2 trigonal bipyramids, corners with two equivalent V(4)O3F2 trigonal bipyramids,  an edgeedge with one V(1)O3F3 octahedra, and  an edgeedge with one V(4)O3F2 trigonal bipyramid. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one O(6), one F(2), one F(3), and one F(5) atom to form VO3F3 octahedra that share corners with three equivalent V(2)O3F3 octahedra, corners with three equivalent V(4)O3F2 trigonal bipyramids, and  an edgeedge with one Mg(1)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 18-36°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(5), one F(1), one F(3), and one F(5) atom to form VO3F3 octahedra that share corners with three equivalent V(1)O3F3 octahedra and corners with three equivalent V(3)O3F2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 18-36°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(5), one F(1), and one F(6) atom to form VO3F2 trigonal bipyramids that share corners with three equivalent V(2)O3F3 octahedra,  a cornercorner with one V(4)O3F2 trigonal bipyramid, and corners with two equivalent Mg(1)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-35°. In the fourth V site, V(4) is bonded to one O(2), one O(4), one O(6), one F(2), and one F(4) atom to form VO3F2 trigonal bipyramids that share corners with three equivalent V(1)O3F3 octahedra,  a cornercorner with one V(3)O3F2 trigonal bipyramid, corners with two equivalent Mg(1)O2F3 trigonal bipyramids, and  an edgeedge with one Mg(1)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-48°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the third O site, O(3) is bonded in a linear geometry to one V(2) and one V(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the second F site, F(2) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one V(4) 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 bent 120 degrees geometry to one Mg(1) and one V(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(3) atom. is represented by the CIF file [CIF]
data_MgV4(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.239
_cell_length_b   9.189
_cell_length_c   5.411
_cell_angle_alpha   96.022
_cell_angle_beta   118.219
_cell_angle_gamma   84.939
_symmetry_Int_Tables_number   1
_cell_volume   228.071
_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  0.984  0.321  0.110  1.0
  V  V1  1  0.004  0.985  0.963  1.0
  V  V2  1  0.716  0.758  0.270  1.0
  V  V3  1  0.456  0.549  0.627  1.0
  V  V4  1  0.337  0.198  0.712  1.0
  O  O5  1  0.893  0.851  0.091  1.0
  O  O6  1  0.296  0.362  0.505  1.0
  O  O7  1  0.585  0.665  0.450  1.0
  O  O8  1  0.111  0.163  0.888  1.0
  O  O9  1  0.474  0.647  0.917  1.0
  O  O10  1  0.600  0.067  0.756  1.0
  F  F11  1  0.046  0.607  0.352  1.0
  F  F12  1  0.041  0.123  0.319  1.0
  F  F13  1  0.424  0.922  0.171  1.0
  F  F14  1  0.583  0.320  0.051  1.0
  F  F15  1  0.980  0.878  0.625  1.0
  F  F16  1  0.844  0.455  0.807  1.0
[/CIF]
.
The structure described by MgV4(OF)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(4), one F(2), one F(4), and one F(6) atom to form distorted MgO2F3 trigonal bipyramids that share corners with two equivalent V(3)O3F2 trigonal bipyramids, corners with two equivalent V(4)O3F2 trigonal bipyramids,  an edgeedge with one V(1)O3F3 octahedra, and  an edgeedge with one V(4)O3F2 trigonal bipyramid. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one O(6), one F(2), one F(3), and one F(5) atom to form VO3F3 octahedra that share corners with three equivalent V(2)O3F3 octahedra, corners with three equivalent V(4)O3F2 trigonal bipyramids, and  an edgeedge with one Mg(1)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 18-36°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(5), one F(1), one F(3), and one F(5) atom to form VO3F3 octahedra that share corners with three equivalent V(1)O3F3 octahedra and corners with three equivalent V(3)O3F2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 18-36°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(5), one F(1), and one F(6) atom to form VO3F2 trigonal bipyramids that share corners with three equivalent V(2)O3F3 octahedra,  a cornercorner with one V(4)O3F2 trigonal bipyramid, and corners with two equivalent Mg(1)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-35°. In the fourth V site, V(4) is bonded to one O(2), one O(4), one O(6), one F(2), and one F(4) atom to form VO3F2 trigonal bipyramids that share corners with three equivalent V(1)O3F3 octahedra,  a cornercorner with one V(3)O3F2 trigonal bipyramid, corners with two equivalent Mg(1)O2F3 trigonal bipyramids, and  an edgeedge with one Mg(1)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-48°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the third O site, O(3) is bonded in a linear geometry to one V(2) and one V(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the second F site, F(2) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one V(4) 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 bent 120 degrees geometry to one Mg(1) and one V(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(3) atom. is represented by the CIF file [CIF]
data_MgV4(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.239
_cell_length_b   9.189
_cell_length_c   5.411
_cell_angle_alpha   96.022
_cell_angle_beta   118.219
_cell_angle_gamma   84.939
_symmetry_Int_Tables_number   1
_cell_volume   228.071
_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  0.984  0.321  0.110  1.0
  V  V1  1  0.004  0.985  0.963  1.0
  V  V2  1  0.716  0.758  0.270  1.0
  V  V3  1  0.456  0.549  0.627  1.0
  V  V4  1  0.337  0.198  0.712  1.0
  O  O5  1  0.893  0.851  0.091  1.0
  O  O6  1  0.296  0.362  0.505  1.0
  O  O7  1  0.585  0.665  0.450  1.0
  O  O8  1  0.111  0.163  0.888  1.0
  O  O9  1  0.474  0.647  0.917  1.0
  O  O10  1  0.600  0.067  0.756  1.0
  F  F11  1  0.046  0.607  0.352  1.0
  F  F12  1  0.041  0.123  0.319  1.0
  F  F13  1  0.424  0.922  0.171  1.0
  F  F14  1  0.583  0.320  0.051  1.0
  F  F15  1  0.980  0.878  0.625  1.0
  F  F16  1  0.844  0.455  0.807  1.0
[/CIF]
.