The structure described by MgV4(OF2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), one F(1), one F(3), one F(5), and one F(7) atom to form distorted MgO2F4 pentagonal pyramids that share corners with three equivalent V(3)O2F4 octahedra, edges with three equivalent V(2)O2F4 octahedra, and  a faceface with one V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one F(2), one F(3), one F(6), and one F(7) atom to form VO2F4 octahedra that share corners with three equivalent V(2)O2F4 octahedra, corners with three equivalent V(4)O2F4 octahedra, and  a faceface with one Mg(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 24-37°. In the second V site, V(2) is bonded to one O(1), one O(4), one F(1), one F(3), one F(5), and one F(7) atom to form VO2F4 octahedra that share corners with three equivalent V(1)O2F4 octahedra, corners with three equivalent V(3)O2F4 octahedra, and edges with three equivalent Mg(1)O2F4 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 24-43°. In the third V site, V(3) is bonded to one O(2), one O(4), one F(1), one F(4), one F(5), and one F(8) atom to form distorted VO2F4 octahedra that share corners with three equivalent V(2)O2F4 octahedra, corners with three equivalent V(4)O2F4 octahedra, and corners with three equivalent Mg(1)O2F4 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 28-44°. In the fourth V site, V(4) is bonded to one O(2), one O(3), one F(2), one F(4), one F(6), and one F(8) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the seventh F site, F(7) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.272
_cell_length_b   9.563
_cell_length_c   5.208
_cell_angle_alpha   105.343
_cell_angle_beta   119.868
_cell_angle_gamma   75.883
_symmetry_Int_Tables_number   1
_cell_volume   217.585
_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  0.106  0.696  0.887  1.0
  V  V1  1  0.979  0.008  0.000  1.0
  V  V2  1  0.745  0.745  0.209  1.0
  V  V3  1  0.485  0.481  0.526  1.0
  V  V4  1  0.244  0.240  0.776  1.0
  O  O5  1  0.824  0.857  0.020  1.0
  O  O6  1  0.304  0.364  0.540  1.0
  O  O7  1  0.197  0.133  0.959  1.0
  O  O8  1  0.483  0.623  0.859  1.0
  F  F9  1  0.149  0.613  0.237  1.0
  F  F10  1  0.995  0.138  0.377  1.0
  F  F11  1  0.369  0.870  0.201  1.0
  F  F12  1  0.491  0.373  0.137  1.0
  F  F13  1  0.761  0.621  0.503  1.0
  F  F14  1  0.598  0.119  0.761  1.0
  F  F15  1  0.989  0.855  0.626  1.0
  F  F16  1  0.895  0.391  0.750  1.0
[/CIF]
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The structure described by MgV4(OF2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), one F(1), one F(3), one F(5), and one F(7) atom to form distorted MgO2F4 pentagonal pyramids that share corners with three equivalent V(3)O2F4 octahedra, edges with three equivalent V(2)O2F4 octahedra, and  a faceface with one V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one F(2), one F(3), one F(6), and one F(7) atom to form VO2F4 octahedra that share corners with three equivalent V(2)O2F4 octahedra, corners with three equivalent V(4)O2F4 octahedra, and  a faceface with one Mg(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 24-37°. In the second V site, V(2) is bonded to one O(1), one O(4), one F(1), one F(3), one F(5), and one F(7) atom to form VO2F4 octahedra that share corners with three equivalent V(1)O2F4 octahedra, corners with three equivalent V(3)O2F4 octahedra, and edges with three equivalent Mg(1)O2F4 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 24-43°. In the third V site, V(3) is bonded to one O(2), one O(4), one F(1), one F(4), one F(5), and one F(8) atom to form distorted VO2F4 octahedra that share corners with three equivalent V(2)O2F4 octahedra, corners with three equivalent V(4)O2F4 octahedra, and corners with three equivalent Mg(1)O2F4 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 28-44°. In the fourth V site, V(4) is bonded to one O(2), one O(3), one F(2), one F(4), one F(6), and one F(8) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the seventh F site, F(7) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.272
_cell_length_b   9.563
_cell_length_c   5.208
_cell_angle_alpha   105.343
_cell_angle_beta   119.868
_cell_angle_gamma   75.883
_symmetry_Int_Tables_number   1
_cell_volume   217.585
_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  0.106  0.696  0.887  1.0
  V  V1  1  0.979  0.008  0.000  1.0
  V  V2  1  0.745  0.745  0.209  1.0
  V  V3  1  0.485  0.481  0.526  1.0
  V  V4  1  0.244  0.240  0.776  1.0
  O  O5  1  0.824  0.857  0.020  1.0
  O  O6  1  0.304  0.364  0.540  1.0
  O  O7  1  0.197  0.133  0.959  1.0
  O  O8  1  0.483  0.623  0.859  1.0
  F  F9  1  0.149  0.613  0.237  1.0
  F  F10  1  0.995  0.138  0.377  1.0
  F  F11  1  0.369  0.870  0.201  1.0
  F  F12  1  0.491  0.373  0.137  1.0
  F  F13  1  0.761  0.621  0.503  1.0
  F  F14  1  0.598  0.119  0.761  1.0
  F  F15  1  0.989  0.855  0.626  1.0
  F  F16  1  0.895  0.391  0.750  1.0
[/CIF]
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