The compound described by MgV2(OF3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one F(1), one F(2), one F(3), one F(5), and one F(6) atom to form MgF5 trigonal bipyramids that share  a cornercorner with one V(1)O2F3 trigonal bipyramid, corners with two equivalent V(2)O2F3 trigonal bipyramids, and  an edgeedge with one V(1)O2F3 trigonal bipyramid. 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), and one F(5) atom to form distorted VO2F3 trigonal bipyramids that share  a cornercorner with one Mg(1)F5 trigonal bipyramid, corners with two equivalent V(2)O2F3 trigonal bipyramids, and  an edgeedge with one Mg(1)F5 trigonal bipyramid. In the second V site, V(2) is bonded to one O(1), one O(2), one F(3), one F(4), and one F(6) atom to form VO2F3 trigonal bipyramids that share corners with two equivalent Mg(1)F5 trigonal bipyramids and corners with two equivalent V(1)O2F3 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to 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(1) and one V(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(1) atom. In the second F site, F(2) is bonded in a water-like geometry to one Mg(1) and one V(1) 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 single-bond geometry to one V(2) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one Mg(1) and one V(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(2) atom. is represented by the CIF card [CIF]
data_MgV2(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.945
_cell_length_b   5.584
_cell_length_c   6.243
_cell_angle_alpha   87.741
_cell_angle_beta   126.005
_cell_angle_gamma   91.731
_symmetry_Int_Tables_number   1
_cell_volume   195.714
_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  0.546  0.937  0.719  1.0
  V  V1  1  0.086  0.942  0.008  1.0
  V  V2  1  0.395  0.437  0.976  1.0
  O  O3  1  0.245  0.717  0.016  1.0
  O  O4  1  0.180  0.236  0.916  1.0
  F  F5  1  0.277  0.041  0.369  1.0
  F  F6  1  0.857  0.831  0.065  1.0
  F  F7  1  0.388  0.642  0.717  1.0
  F  F8  1  0.655  0.469  0.308  1.0
  F  F9  1  0.792  0.975  0.657  1.0
  F  F10  1  0.556  0.211  0.904  1.0
[/CIF]
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The compound described by MgV2(OF3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one F(1), one F(2), one F(3), one F(5), and one F(6) atom to form MgF5 trigonal bipyramids that share  a cornercorner with one V(1)O2F3 trigonal bipyramid, corners with two equivalent V(2)O2F3 trigonal bipyramids, and  an edgeedge with one V(1)O2F3 trigonal bipyramid. 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), and one F(5) atom to form distorted VO2F3 trigonal bipyramids that share  a cornercorner with one Mg(1)F5 trigonal bipyramid, corners with two equivalent V(2)O2F3 trigonal bipyramids, and  an edgeedge with one Mg(1)F5 trigonal bipyramid. In the second V site, V(2) is bonded to one O(1), one O(2), one F(3), one F(4), and one F(6) atom to form VO2F3 trigonal bipyramids that share corners with two equivalent Mg(1)F5 trigonal bipyramids and corners with two equivalent V(1)O2F3 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to 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(1) and one V(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(1) atom. In the second F site, F(2) is bonded in a water-like geometry to one Mg(1) and one V(1) 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 single-bond geometry to one V(2) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one Mg(1) and one V(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(2) atom. is represented by the CIF card [CIF]
data_MgV2(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.945
_cell_length_b   5.584
_cell_length_c   6.243
_cell_angle_alpha   87.741
_cell_angle_beta   126.005
_cell_angle_gamma   91.731
_symmetry_Int_Tables_number   1
_cell_volume   195.714
_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  0.546  0.937  0.719  1.0
  V  V1  1  0.086  0.942  0.008  1.0
  V  V2  1  0.395  0.437  0.976  1.0
  O  O3  1  0.245  0.717  0.016  1.0
  O  O4  1  0.180  0.236  0.916  1.0
  F  F5  1  0.277  0.041  0.369  1.0
  F  F6  1  0.857  0.831  0.065  1.0
  F  F7  1  0.388  0.642  0.717  1.0
  F  F8  1  0.655  0.469  0.308  1.0
  F  F9  1  0.792  0.975  0.657  1.0
  F  F10  1  0.556  0.211  0.904  1.0
[/CIF]
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