The crystal structure described by MgV4(O3F2)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(5), one O(6), one F(2), and one F(3) atom to form MgO4F2 octahedra that share  a cornercorner with one V(1)O3F2 trigonal bipyramid,  a cornercorner with one V(4)O3F2 trigonal bipyramid, edges with two equivalent V(2)O4F2 octahedra, edges with two equivalent V(3)O4F2 octahedra,  an edgeedge with one V(1)O3F2 trigonal bipyramid, and  an edgeedge with one V(4)O3F2 trigonal bipyramid. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one O(6), one F(1), and one F(2) atom to form distorted VO3F2 trigonal bipyramids that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent V(2)O4F2 octahedra, corners with three equivalent V(3)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra, and  an edgeedge with one V(4)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-64°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(5), one F(1), and one F(3) atom to form VO4F2 octahedra that share corners with two equivalent V(1)O3F2 trigonal bipyramids, corners with three equivalent V(4)O3F2 trigonal bipyramids,  an edgeedge with one V(3)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. In the third V site, V(3) is bonded to one O(2), one O(4), one O(5), one O(6), one F(2), and one F(4) atom to form VO4F2 octahedra that share corners with two equivalent V(4)O3F2 trigonal bipyramids, corners with three equivalent V(1)O3F2 trigonal bipyramids,  an edgeedge with one V(2)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(6), one F(3), and one F(4) atom to form distorted VO3F2 trigonal bipyramids that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent V(3)O4F2 octahedra, corners with three equivalent V(2)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra, and  an edgeedge with one V(1)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-64°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(1), one V(2), and one V(4) atom to form a mixture of edge and corner-sharing OMgV3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mg(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mg(1), one V(2), and one V(3) atom. In the sixth O site, O(6) is bonded to one Mg(1), one V(1), one V(3), and one V(4) atom to form a mixture of distorted edge and corner-sharing OMgV3 trigonal pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(3) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one V(4) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one V(3) and one V(4) atom. is represented by the CIF file [CIF]
data_MgV4(O3F2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.365
_cell_length_b   5.857
_cell_length_c   7.831
_cell_angle_alpha   122.770
_cell_angle_beta   111.820
_cell_angle_gamma   81.248
_symmetry_Int_Tables_number   1
_cell_volume   191.685
_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  0.998  0.002  0.996  1.0
  V  V1  1  0.208  0.588  0.216  1.0
  V  V2  1  0.392  0.010  0.803  1.0
  V  V3  1  0.604  0.993  0.190  1.0
  V  V4  1  0.788  0.414  0.776  1.0
  O  O5  1  0.093  0.271  0.913  1.0
  O  O6  1  0.310  0.814  0.910  1.0
  O  O7  1  0.523  0.239  0.723  1.0
  O  O8  1  0.474  0.763  0.269  1.0
  O  O9  1  0.687  0.189  0.082  1.0
  O  O10  1  0.903  0.731  0.079  1.0
  F  F11  1  0.142  0.783  0.489  1.0
  F  F12  1  0.296  0.282  0.277  1.0
  F  F13  1  0.701  0.720  0.715  1.0
  F  F14  1  0.856  0.220  0.503  1.0
[/CIF]
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The crystal structure described by MgV4(O3F2)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(5), one O(6), one F(2), and one F(3) atom to form MgO4F2 octahedra that share  a cornercorner with one V(1)O3F2 trigonal bipyramid,  a cornercorner with one V(4)O3F2 trigonal bipyramid, edges with two equivalent V(2)O4F2 octahedra, edges with two equivalent V(3)O4F2 octahedra,  an edgeedge with one V(1)O3F2 trigonal bipyramid, and  an edgeedge with one V(4)O3F2 trigonal bipyramid. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one O(6), one F(1), and one F(2) atom to form distorted VO3F2 trigonal bipyramids that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent V(2)O4F2 octahedra, corners with three equivalent V(3)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra, and  an edgeedge with one V(4)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-64°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(5), one F(1), and one F(3) atom to form VO4F2 octahedra that share corners with two equivalent V(1)O3F2 trigonal bipyramids, corners with three equivalent V(4)O3F2 trigonal bipyramids,  an edgeedge with one V(3)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. In the third V site, V(3) is bonded to one O(2), one O(4), one O(5), one O(6), one F(2), and one F(4) atom to form VO4F2 octahedra that share corners with two equivalent V(4)O3F2 trigonal bipyramids, corners with three equivalent V(1)O3F2 trigonal bipyramids,  an edgeedge with one V(2)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(6), one F(3), and one F(4) atom to form distorted VO3F2 trigonal bipyramids that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent V(3)O4F2 octahedra, corners with three equivalent V(2)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra, and  an edgeedge with one V(1)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-64°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(1), one V(2), and one V(4) atom to form a mixture of edge and corner-sharing OMgV3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mg(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mg(1), one V(2), and one V(3) atom. In the sixth O site, O(6) is bonded to one Mg(1), one V(1), one V(3), and one V(4) atom to form a mixture of distorted edge and corner-sharing OMgV3 trigonal pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(3) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one V(4) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one V(3) and one V(4) atom. is represented by the CIF file [CIF]
data_MgV4(O3F2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.365
_cell_length_b   5.857
_cell_length_c   7.831
_cell_angle_alpha   122.770
_cell_angle_beta   111.820
_cell_angle_gamma   81.248
_symmetry_Int_Tables_number   1
_cell_volume   191.685
_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  0.998  0.002  0.996  1.0
  V  V1  1  0.208  0.588  0.216  1.0
  V  V2  1  0.392  0.010  0.803  1.0
  V  V3  1  0.604  0.993  0.190  1.0
  V  V4  1  0.788  0.414  0.776  1.0
  O  O5  1  0.093  0.271  0.913  1.0
  O  O6  1  0.310  0.814  0.910  1.0
  O  O7  1  0.523  0.239  0.723  1.0
  O  O8  1  0.474  0.763  0.269  1.0
  O  O9  1  0.687  0.189  0.082  1.0
  O  O10  1  0.903  0.731  0.079  1.0
  F  F11  1  0.142  0.783  0.489  1.0
  F  F12  1  0.296  0.282  0.277  1.0
  F  F13  1  0.701  0.720  0.715  1.0
  F  F14  1  0.856  0.220  0.503  1.0
[/CIF]
.