The structure described by MgV2(OF3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one F(1), one F(2), one F(3), one F(4), and one F(6) atom to form MgOF5 octahedra that share corners with two equivalent V(1)O2F4 octahedra, corners with four equivalent V(2)O2F4 octahedra, and  a faceface with one V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-56°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(4), and one F(6) atom to form distorted VO2F4 octahedra that share corners with two equivalent Mg(1)OF5 octahedra, edges with two equivalent V(2)O2F4 octahedra, and  a faceface with one Mg(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(2), one F(3), one F(4), and one F(5) atom to form VO2F4 octahedra that share corners with four equivalent Mg(1)OF5 octahedra and edges with two equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-47°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in an L-shaped geometry to one Mg(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one V(2) atom. In the sixth F site, F(6) 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_MgV2(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.866
_cell_length_b   5.727
_cell_length_c   5.059
_cell_angle_alpha   92.103
_cell_angle_beta   87.965
_cell_angle_gamma   117.599
_symmetry_Int_Tables_number   1
_cell_volume   150.477
_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  0.643  0.099  0.250  1.0
  V  V1  1  0.329  0.355  0.239  1.0
  V  V2  1  0.637  0.619  0.740  1.0
  O  O3  1  0.326  0.502  0.937  1.0
  O  O4  1  0.515  0.318  0.511  1.0
  F  F5  1  0.280  0.018  0.129  1.0
  F  F6  1  0.503  0.744  0.443  1.0
  F  F7  1  0.737  0.954  0.939  1.0
  F  F8  1  0.706  0.448  0.043  1.0
  F  F9  1  0.961  0.753  0.625  1.0
  F  F10  1  0.998  0.263  0.382  1.0
[/CIF]
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The structure described by MgV2(OF3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one F(1), one F(2), one F(3), one F(4), and one F(6) atom to form MgOF5 octahedra that share corners with two equivalent V(1)O2F4 octahedra, corners with four equivalent V(2)O2F4 octahedra, and  a faceface with one V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-56°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(4), and one F(6) atom to form distorted VO2F4 octahedra that share corners with two equivalent Mg(1)OF5 octahedra, edges with two equivalent V(2)O2F4 octahedra, and  a faceface with one Mg(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(2), one F(3), one F(4), and one F(5) atom to form VO2F4 octahedra that share corners with four equivalent Mg(1)OF5 octahedra and edges with two equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-47°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in an L-shaped geometry to one Mg(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one V(2) atom. In the sixth F site, F(6) 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_MgV2(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.866
_cell_length_b   5.727
_cell_length_c   5.059
_cell_angle_alpha   92.103
_cell_angle_beta   87.965
_cell_angle_gamma   117.599
_symmetry_Int_Tables_number   1
_cell_volume   150.477
_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  0.643  0.099  0.250  1.0
  V  V1  1  0.329  0.355  0.239  1.0
  V  V2  1  0.637  0.619  0.740  1.0
  O  O3  1  0.326  0.502  0.937  1.0
  O  O4  1  0.515  0.318  0.511  1.0
  F  F5  1  0.280  0.018  0.129  1.0
  F  F6  1  0.503  0.744  0.443  1.0
  F  F7  1  0.737  0.954  0.939  1.0
  F  F8  1  0.706  0.448  0.043  1.0
  F  F9  1  0.961  0.753  0.625  1.0
  F  F10  1  0.998  0.263  0.382  1.0
[/CIF]
.