The crystal structure described by MgVSF5 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one F(10), one F(2), one F(4), one F(7), and one F(8) atom to form MgF5 trigonal bipyramids that share corners with two equivalent V(2)SF5 octahedra and  a cornercorner with one Mg(2)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 6-33°. In the second Mg site, Mg(2) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(9) atom to form distorted MgF6 pentagonal pyramids that share  a cornercorner with one V(2)SF5 octahedra,  a cornercorner with one Mg(1)F5 trigonal bipyramid, and  an edgeedge with one V(2)SF5 octahedra. The corner-sharing octahedral tilt angles are 35°. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one S(1), one S(2), one F(2), one F(5), one F(7), and one F(9) atom. In the second V site, V(2) is bonded to one S(1), one F(1), one F(10), one F(3), one F(6), and one F(8) atom to form distorted VSF5 octahedra that share  a cornercorner with one Mg(2)F6 pentagonal pyramid, corners with two equivalent Mg(1)F5 trigonal bipyramids, and  an edgeedge with one Mg(2)F6 pentagonal pyramid. There are two inequivalent S sites. In the first S site, S(1) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one V(1), one F(3), and one F(4) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mg(2) and one V(2) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mg(2), and one V(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mg(2), one V(2), and one S(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mg(2) and one V(1) atom. In the sixth F site, F(6) is bonded in a water-like geometry to one Mg(2) and one V(2) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one Mg(1) and one V(1) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(2) atom. In the ninth F site, F(9) is bonded in a water-like geometry to one Mg(2) and one V(1) atom. In the tenth F site, F(10) is bonded in a linear geometry to one Mg(1) and one V(2) atom. is represented by the CIF file [CIF]
data_MgVSF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.613
_cell_length_b   6.308
_cell_length_c   7.467
_cell_angle_alpha   105.507
_cell_angle_beta   102.225
_cell_angle_gamma   99.999
_symmetry_Int_Tables_number   1
_cell_volume   241.435
_cell_formula_units_Z   2
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  0.413  0.601  0.688  1.0
  Mg  Mg1  1  0.613  0.447  0.232  1.0
  V  V2  1  0.523  0.949  0.450  1.0
  V  V3  1  0.967  0.402  0.946  1.0
  S  S4  1  0.909  0.059  0.698  1.0
  S  S5  1  0.096  0.015  0.359  1.0
  F  F6  1  0.256  0.332  0.089  1.0
  F  F7  1  0.568  0.632  0.475  1.0
  F  F8  1  0.968  0.642  0.228  1.0
  F  F9  1  0.188  0.313  0.469  1.0
  F  F10  1  0.616  0.221  0.390  1.0
  F  F11  1  0.727  0.240  0.044  1.0
  F  F12  1  0.386  0.900  0.662  1.0
  F  F13  1  0.186  0.590  0.847  1.0
  F  F14  1  0.528  0.775  0.209  1.0
  F  F15  1  0.687  0.515  0.827  1.0
[/CIF]
.
The crystal structure described by MgVSF5 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one F(10), one F(2), one F(4), one F(7), and one F(8) atom to form MgF5 trigonal bipyramids that share corners with two equivalent V(2)SF5 octahedra and  a cornercorner with one Mg(2)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 6-33°. In the second Mg site, Mg(2) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(9) atom to form distorted MgF6 pentagonal pyramids that share  a cornercorner with one V(2)SF5 octahedra,  a cornercorner with one Mg(1)F5 trigonal bipyramid, and  an edgeedge with one V(2)SF5 octahedra. The corner-sharing octahedral tilt angles are 35°. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one S(1), one S(2), one F(2), one F(5), one F(7), and one F(9) atom. In the second V site, V(2) is bonded to one S(1), one F(1), one F(10), one F(3), one F(6), and one F(8) atom to form distorted VSF5 octahedra that share  a cornercorner with one Mg(2)F6 pentagonal pyramid, corners with two equivalent Mg(1)F5 trigonal bipyramids, and  an edgeedge with one Mg(2)F6 pentagonal pyramid. There are two inequivalent S sites. In the first S site, S(1) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one V(1), one F(3), and one F(4) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mg(2) and one V(2) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mg(2), and one V(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mg(2), one V(2), and one S(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mg(2) and one V(1) atom. In the sixth F site, F(6) is bonded in a water-like geometry to one Mg(2) and one V(2) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one Mg(1) and one V(1) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(2) atom. In the ninth F site, F(9) is bonded in a water-like geometry to one Mg(2) and one V(1) atom. In the tenth F site, F(10) is bonded in a linear geometry to one Mg(1) and one V(2) atom. is represented by the CIF file [CIF]
data_MgVSF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.613
_cell_length_b   6.308
_cell_length_c   7.467
_cell_angle_alpha   105.507
_cell_angle_beta   102.225
_cell_angle_gamma   99.999
_symmetry_Int_Tables_number   1
_cell_volume   241.435
_cell_formula_units_Z   2
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  0.413  0.601  0.688  1.0
  Mg  Mg1  1  0.613  0.447  0.232  1.0
  V  V2  1  0.523  0.949  0.450  1.0
  V  V3  1  0.967  0.402  0.946  1.0
  S  S4  1  0.909  0.059  0.698  1.0
  S  S5  1  0.096  0.015  0.359  1.0
  F  F6  1  0.256  0.332  0.089  1.0
  F  F7  1  0.568  0.632  0.475  1.0
  F  F8  1  0.968  0.642  0.228  1.0
  F  F9  1  0.188  0.313  0.469  1.0
  F  F10  1  0.616  0.221  0.390  1.0
  F  F11  1  0.727  0.240  0.044  1.0
  F  F12  1  0.386  0.900  0.662  1.0
  F  F13  1  0.186  0.590  0.847  1.0
  F  F14  1  0.528  0.775  0.209  1.0
  F  F15  1  0.687  0.515  0.827  1.0
[/CIF]
.