The crystal structure described by MgV4O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(5), one O(6), one F(4), and one F(5) atom to form distorted MgO4F2 pentagonal pyramids that share  a cornercorner with one V(1)O4F2 octahedra and edges with two equivalent V(4)O3F3 octahedra. The corner-sharing octahedral tilt angles are 61°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), one O(7), one F(2), and one F(3) atom to form VO4F2 octahedra that share corners with three equivalent V(4)O3F3 octahedra and  a cornercorner with one Mg(1)O4F2 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 18-39°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(7), one F(1), and one F(3) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(6), one F(1), one F(4), and one F(5) atom. In the fourth V site, V(4) is bonded to one O(1), one O(2), one O(6), one F(2), one F(4), and one F(5) atom to form VO3F3 octahedra that share corners with three equivalent V(1)O4F2 octahedra and edges with two equivalent Mg(1)O4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 18-39°. There are seven 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 distorted trigonal planar geometry to one Mg(1), one V(1), and one V(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) 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 trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are five 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 bent 150 degrees geometry to 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 T-shaped geometry to one Mg(1), one V(3), and one V(4) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Mg(1), one V(3), and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.287
_cell_length_b   5.464
_cell_length_c   8.805
_cell_angle_alpha   77.340
_cell_angle_beta   90.734
_cell_angle_gamma   59.630
_symmetry_Int_Tables_number   1
_cell_volume   211.810
_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  0.555  0.896  0.850  1.0
  V  V1  1  0.768  0.470  0.241  1.0
  V  V2  1  0.463  0.079  0.473  1.0
  V  V3  1  0.262  0.541  0.737  1.0
  V  V4  1  0.046  0.941  0.011  1.0
  O  O5  1  0.946  0.231  0.128  1.0
  O  O6  1  0.445  0.751  0.062  1.0
  O  O7  1  0.438  0.727  0.695  1.0
  O  O8  1  0.561  0.273  0.335  1.0
  O  O9  1  0.465  0.215  0.640  1.0
  O  O10  1  0.996  0.747  0.881  1.0
  O  O11  1  0.093  0.237  0.422  1.0
  F  F12  1  0.923  0.741  0.578  1.0
  F  F13  1  0.950  0.718  0.183  1.0
  F  F14  1  0.557  0.753  0.376  1.0
  F  F15  1  0.558  0.229  0.926  1.0
  F  F16  1  0.100  0.202  0.836  1.0
[/CIF]
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The crystal structure described by MgV4O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(5), one O(6), one F(4), and one F(5) atom to form distorted MgO4F2 pentagonal pyramids that share  a cornercorner with one V(1)O4F2 octahedra and edges with two equivalent V(4)O3F3 octahedra. The corner-sharing octahedral tilt angles are 61°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), one O(7), one F(2), and one F(3) atom to form VO4F2 octahedra that share corners with three equivalent V(4)O3F3 octahedra and  a cornercorner with one Mg(1)O4F2 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 18-39°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(7), one F(1), and one F(3) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(6), one F(1), one F(4), and one F(5) atom. In the fourth V site, V(4) is bonded to one O(1), one O(2), one O(6), one F(2), one F(4), and one F(5) atom to form VO3F3 octahedra that share corners with three equivalent V(1)O4F2 octahedra and edges with two equivalent Mg(1)O4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 18-39°. There are seven 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 distorted trigonal planar geometry to one Mg(1), one V(1), and one V(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) 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 trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are five 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 bent 150 degrees geometry to 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 T-shaped geometry to one Mg(1), one V(3), and one V(4) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Mg(1), one V(3), and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.287
_cell_length_b   5.464
_cell_length_c   8.805
_cell_angle_alpha   77.340
_cell_angle_beta   90.734
_cell_angle_gamma   59.630
_symmetry_Int_Tables_number   1
_cell_volume   211.810
_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  0.555  0.896  0.850  1.0
  V  V1  1  0.768  0.470  0.241  1.0
  V  V2  1  0.463  0.079  0.473  1.0
  V  V3  1  0.262  0.541  0.737  1.0
  V  V4  1  0.046  0.941  0.011  1.0
  O  O5  1  0.946  0.231  0.128  1.0
  O  O6  1  0.445  0.751  0.062  1.0
  O  O7  1  0.438  0.727  0.695  1.0
  O  O8  1  0.561  0.273  0.335  1.0
  O  O9  1  0.465  0.215  0.640  1.0
  O  O10  1  0.996  0.747  0.881  1.0
  O  O11  1  0.093  0.237  0.422  1.0
  F  F12  1  0.923  0.741  0.578  1.0
  F  F13  1  0.950  0.718  0.183  1.0
  F  F14  1  0.557  0.753  0.376  1.0
  F  F15  1  0.558  0.229  0.926  1.0
  F  F16  1  0.100  0.202  0.836  1.0
[/CIF]
.