The material described by MgV4(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(7), one F(1), and one F(4) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(6), one O(8), and one F(2) atom to form distorted corner-sharing VO4F trigonal bipyramids. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), one O(7), and one F(1) atom to form distorted corner-sharing VO4F trigonal bipyramids. In the third V site, V(3) is bonded to one O(2), one O(4), one O(5), one O(6), and one F(4) atom to form corner-sharing VO4F trigonal bipyramids. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(7), one O(8), and one F(3) atom to form distorted corner-sharing VO4F trigonal bipyramids. There are eight 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(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one V(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), 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(3) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one V(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Mg(1) and one V(2) atom. In the second F site, F(2) is bonded in a single-bond geometry to one V(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one V(4) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.630
_cell_length_b   5.073
_cell_length_c   8.697
_cell_angle_alpha   91.275
_cell_angle_beta   90.976
_cell_angle_gamma   91.586
_symmetry_Int_Tables_number   1
_cell_volume   248.217
_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  0.883  0.378  0.684  1.0
  V  V1  1  0.111  0.652  0.123  1.0
  V  V2  1  0.392  0.348  0.631  1.0
  V  V3  1  0.602  0.858  0.885  1.0
  V  V4  1  0.873  0.152  0.369  1.0
  O  O5  1  0.094  0.873  0.268  1.0
  O  O6  1  0.884  0.691  0.993  1.0
  O  O7  1  0.656  0.296  0.501  1.0
  O  O8  1  0.408  0.097  0.754  1.0
  O  O9  1  0.612  0.604  0.733  1.0
  O  O10  1  0.377  0.815  0.014  1.0
  O  O11  1  0.107  0.213  0.508  1.0
  O  O12  1  0.894  0.372  0.230  1.0
  F  F13  1  0.159  0.599  0.698  1.0
  F  F14  1  0.309  0.377  0.135  1.0
  F  F15  1  0.664  0.881  0.331  1.0
  F  F16  1  0.850  0.120  0.842  1.0
[/CIF]
.
The material described by MgV4(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(7), one F(1), and one F(4) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(6), one O(8), and one F(2) atom to form distorted corner-sharing VO4F trigonal bipyramids. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), one O(7), and one F(1) atom to form distorted corner-sharing VO4F trigonal bipyramids. In the third V site, V(3) is bonded to one O(2), one O(4), one O(5), one O(6), and one F(4) atom to form corner-sharing VO4F trigonal bipyramids. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(7), one O(8), and one F(3) atom to form distorted corner-sharing VO4F trigonal bipyramids. There are eight 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(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one V(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), 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(3) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one V(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Mg(1) and one V(2) atom. In the second F site, F(2) is bonded in a single-bond geometry to one V(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one V(4) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.630
_cell_length_b   5.073
_cell_length_c   8.697
_cell_angle_alpha   91.275
_cell_angle_beta   90.976
_cell_angle_gamma   91.586
_symmetry_Int_Tables_number   1
_cell_volume   248.217
_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  0.883  0.378  0.684  1.0
  V  V1  1  0.111  0.652  0.123  1.0
  V  V2  1  0.392  0.348  0.631  1.0
  V  V3  1  0.602  0.858  0.885  1.0
  V  V4  1  0.873  0.152  0.369  1.0
  O  O5  1  0.094  0.873  0.268  1.0
  O  O6  1  0.884  0.691  0.993  1.0
  O  O7  1  0.656  0.296  0.501  1.0
  O  O8  1  0.408  0.097  0.754  1.0
  O  O9  1  0.612  0.604  0.733  1.0
  O  O10  1  0.377  0.815  0.014  1.0
  O  O11  1  0.107  0.213  0.508  1.0
  O  O12  1  0.894  0.372  0.230  1.0
  F  F13  1  0.159  0.599  0.698  1.0
  F  F14  1  0.309  0.377  0.135  1.0
  F  F15  1  0.664  0.881  0.331  1.0
  F  F16  1  0.850  0.120  0.842  1.0
[/CIF]
.