The crystal structure described by MgV4O5F7 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(7) atom to form distorted MgO2F4 pentagonal pyramids that share  a cornercorner with one V(3)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra,  an edgeedge with one V(4)O2F4 octahedra, edges with two equivalent V(2)O3F3 octahedra, and  a faceface with one V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one F(2), one F(3), and one F(7) atom to form VO3F3 octahedra that share corners with three equivalent V(4)O2F4 octahedra, corners with three equivalent V(2)O3F3 octahedra, corners with two equivalent Mg(1)O2F4 pentagonal pyramids, and  a faceface with one Mg(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 24-40°. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), one F(1), one F(3), and one F(7) atom to form VO3F3 octahedra that share corners with three equivalent V(3)O2F4 octahedra, corners with three equivalent V(1)O3F3 octahedra, and edges with two equivalent Mg(1)O2F4 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 19-42°. In the third V site, V(3) is bonded to one O(4), one O(5), one F(1), one F(4), one F(5), and one F(6) atom to form VO2F4 octahedra that share corners with three equivalent V(4)O2F4 octahedra, corners with three equivalent V(2)O3F3 octahedra, and  a cornercorner with one Mg(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 19-42°. In the fourth V site, V(4) is bonded to one O(1), one O(3), one F(2), one F(4), one F(5), and one F(6) atom to form VO2F4 octahedra that share corners with three equivalent V(3)O2F4 octahedra, corners with three equivalent V(1)O3F3 octahedra, and  an edgeedge with one Mg(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 24-40°. There are five 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(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) 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 bent 150 degrees geometry to one V(2) and one V(3) 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. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(3) 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(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 bent 150 degrees geometry to one V(3) and one V(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(3) 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.305
_cell_length_b   5.447
_cell_length_c   8.883
_cell_angle_alpha   76.254
_cell_angle_beta   90.329
_cell_angle_gamma   60.497
_symmetry_Int_Tables_number   1
_cell_volume   214.717
_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  0.055  0.906  0.349  1.0
  V  V1  1  0.713  0.536  0.235  1.0
  V  V2  1  0.499  0.975  0.515  1.0
  V  V3  1  0.296  0.485  0.750  1.0
  V  V4  1  0.040  0.009  0.002  1.0
  O  O5  1  0.959  0.229  0.140  1.0
  O  O6  1  0.493  0.765  0.376  1.0
  O  O7  1  0.414  0.762  0.063  1.0
  O  O8  1  0.430  0.707  0.674  1.0
  O  O9  1  0.466  0.205  0.630  1.0
  F  F10  1  0.950  0.732  0.553  1.0
  F  F11  1  0.957  0.740  0.195  1.0
  F  F12  1  0.599  0.213  0.335  1.0
  F  F13  1  0.593  0.225  0.928  1.0
  F  F14  1  0.035  0.754  0.869  1.0
  F  F15  1  0.068  0.283  0.825  1.0
  F  F16  1  0.060  0.226  0.432  1.0
[/CIF]
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The crystal structure described by MgV4O5F7 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(7) atom to form distorted MgO2F4 pentagonal pyramids that share  a cornercorner with one V(3)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra,  an edgeedge with one V(4)O2F4 octahedra, edges with two equivalent V(2)O3F3 octahedra, and  a faceface with one V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one F(2), one F(3), and one F(7) atom to form VO3F3 octahedra that share corners with three equivalent V(4)O2F4 octahedra, corners with three equivalent V(2)O3F3 octahedra, corners with two equivalent Mg(1)O2F4 pentagonal pyramids, and  a faceface with one Mg(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 24-40°. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), one F(1), one F(3), and one F(7) atom to form VO3F3 octahedra that share corners with three equivalent V(3)O2F4 octahedra, corners with three equivalent V(1)O3F3 octahedra, and edges with two equivalent Mg(1)O2F4 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 19-42°. In the third V site, V(3) is bonded to one O(4), one O(5), one F(1), one F(4), one F(5), and one F(6) atom to form VO2F4 octahedra that share corners with three equivalent V(4)O2F4 octahedra, corners with three equivalent V(2)O3F3 octahedra, and  a cornercorner with one Mg(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 19-42°. In the fourth V site, V(4) is bonded to one O(1), one O(3), one F(2), one F(4), one F(5), and one F(6) atom to form VO2F4 octahedra that share corners with three equivalent V(3)O2F4 octahedra, corners with three equivalent V(1)O3F3 octahedra, and  an edgeedge with one Mg(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 24-40°. There are five 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(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) 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 bent 150 degrees geometry to one V(2) and one V(3) 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. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(3) 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(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 bent 150 degrees geometry to one V(3) and one V(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(3) 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.305
_cell_length_b   5.447
_cell_length_c   8.883
_cell_angle_alpha   76.254
_cell_angle_beta   90.329
_cell_angle_gamma   60.497
_symmetry_Int_Tables_number   1
_cell_volume   214.717
_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  0.055  0.906  0.349  1.0
  V  V1  1  0.713  0.536  0.235  1.0
  V  V2  1  0.499  0.975  0.515  1.0
  V  V3  1  0.296  0.485  0.750  1.0
  V  V4  1  0.040  0.009  0.002  1.0
  O  O5  1  0.959  0.229  0.140  1.0
  O  O6  1  0.493  0.765  0.376  1.0
  O  O7  1  0.414  0.762  0.063  1.0
  O  O8  1  0.430  0.707  0.674  1.0
  O  O9  1  0.466  0.205  0.630  1.0
  F  F10  1  0.950  0.732  0.553  1.0
  F  F11  1  0.957  0.740  0.195  1.0
  F  F12  1  0.599  0.213  0.335  1.0
  F  F13  1  0.593  0.225  0.928  1.0
  F  F14  1  0.035  0.754  0.869  1.0
  F  F15  1  0.068  0.283  0.825  1.0
  F  F16  1  0.060  0.226  0.432  1.0
[/CIF]
.