The compound described by MgV8(OF)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(6), one O(7), one F(2), one F(3), and one F(5) atom to form distorted MgO3F3 octahedra that share  a cornercorner with one V(1)O3F3 octahedra,  a cornercorner with one V(2)O3F3 octahedra,  a cornercorner with one V(4)O3F3 octahedra, edges with two equivalent V(6)O3F3 octahedra, edges with two equivalent V(8)O3F3 octahedra, and  a faceface with one V(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(5), one O(8), one F(3), one F(4), and one F(6) atom to form VO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent V(7)O3F3 octahedra, corners with two equivalent V(8)O3F3 octahedra, corners with four equivalent V(5)O3F3 octahedra,  an edgeedge with one V(2)O3F3 octahedra, and  an edgeedge with one V(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(7), one F(3), one F(5), and one F(6) atom to form VO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent V(5)O3F3 octahedra, corners with two equivalent V(6)O3F3 octahedra, corners with four equivalent V(8)O3F3 octahedra,  an edgeedge with one V(1)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(6), one F(2), one F(5), and one F(7) atom. In the fourth V site, V(4) is bonded to one O(4), one O(5), one O(6), one F(1), one F(4), and one F(8) atom to form VO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent V(5)O3F3 octahedra, corners with two equivalent V(6)O3F3 octahedra, corners with four equivalent V(7)O3F3 octahedra, and  an edgeedge with one V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. In the fifth V site, V(5) is bonded to one O(1), one O(2), one O(8), one F(4), one F(6), and one F(8) atom to form a mixture of edge and corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the sixth V site, V(6) is bonded to one O(3), one O(6), one O(7), one F(1), one F(2), and one F(7) atom to form VO3F3 octahedra that share corners with two equivalent V(2)O3F3 octahedra, corners with two equivalent V(4)O3F3 octahedra,  an edgeedge with one V(7)O3F3 octahedra,  an edgeedge with one V(8)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. In the seventh V site, V(7) is bonded to one O(1), one O(4), one O(5), one F(1), one F(7), and one F(8) atom to form a mixture of edge and corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. In the eighth V site, V(8) is bonded to one O(2), one O(7), one O(8), one F(2), one F(3), and one F(5) atom to form VO3F3 octahedra that share corners with two equivalent V(1)O3F3 octahedra, corners with four equivalent V(2)O3F3 octahedra,  an edgeedge with one V(5)O3F3 octahedra,  an edgeedge with one V(6)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one V(5), and one V(7) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(2), one V(5), and one V(8) atom. In the third O site, O(3) is bonded to one Mg(1), one V(2), one V(3), and one V(6) atom to form a mixture of distorted edge and corner-sharing OMgV3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(3), one V(4), and one V(7) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one V(1), one V(4), and one V(7) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(3), one V(4), and one V(6) atom. In the seventh O site, O(7) is bonded to one Mg(1), one V(2), one V(6), and one V(8) atom to form a mixture of edge and corner-sharing OMgV3 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(1), one V(5), and one V(8) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one V(4), one V(6), and one V(7) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(3), one V(6), and one V(8) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one V(8) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one V(1), one V(4), and one V(5) atom. In the fifth F site, F(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), one V(3), and one V(8) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(5) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one V(3), one V(6), and one V(7) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one V(4), one V(5), and one V(7) atom. is represented by the CIF card [CIF]
data_MgV8(OF)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.910
_cell_length_b   10.688
_cell_length_c   5.659
_cell_angle_alpha   84.789
_cell_angle_beta   89.175
_cell_angle_gamma   89.843
_symmetry_Int_Tables_number   1
_cell_volume   295.661
_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  0.491  0.857  0.871  1.0
  V  V1  1  0.476  0.267  0.733  1.0
  V  V2  1  0.513  0.002  0.454  1.0
  V  V3  1  0.528  0.711  0.306  1.0
  V  V4  1  0.493  0.509  0.011  1.0
  V  V5  1  0.979  0.242  0.244  1.0
  V  V6  1  0.010  0.753  0.752  1.0
  V  V7  1  0.987  0.477  0.521  1.0
  V  V8  1  0.017  0.024  0.969  1.0
  O  O9  1  0.807  0.308  0.525  1.0
  O  O10  1  0.800  0.070  0.250  1.0
  O  O11  1  0.653  0.828  0.546  1.0
  O  O12  1  0.716  0.557  0.307  1.0
  O  O13  1  0.311  0.426  0.722  1.0
  O  O14  1  0.346  0.694  0.993  1.0
  O  O15  1  0.188  0.941  0.703  1.0
  O  O16  1  0.189  0.184  0.963  1.0
  F  F17  1  0.825  0.571  0.794  1.0
  F  F18  1  0.827  0.836  0.048  1.0
  F  F19  1  0.667  0.066  0.766  1.0
  F  F20  1  0.689  0.323  0.024  1.0
  F  F21  1  0.329  0.931  0.171  1.0
  F  F22  1  0.305  0.175  0.450  1.0
  F  F23  1  0.183  0.658  0.482  1.0
  F  F24  1  0.185  0.414  0.229  1.0
[/CIF]
.
The compound described by MgV8(OF)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(6), one O(7), one F(2), one F(3), and one F(5) atom to form distorted MgO3F3 octahedra that share  a cornercorner with one V(1)O3F3 octahedra,  a cornercorner with one V(2)O3F3 octahedra,  a cornercorner with one V(4)O3F3 octahedra, edges with two equivalent V(6)O3F3 octahedra, edges with two equivalent V(8)O3F3 octahedra, and  a faceface with one V(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(5), one O(8), one F(3), one F(4), and one F(6) atom to form VO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent V(7)O3F3 octahedra, corners with two equivalent V(8)O3F3 octahedra, corners with four equivalent V(5)O3F3 octahedra,  an edgeedge with one V(2)O3F3 octahedra, and  an edgeedge with one V(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(7), one F(3), one F(5), and one F(6) atom to form VO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent V(5)O3F3 octahedra, corners with two equivalent V(6)O3F3 octahedra, corners with four equivalent V(8)O3F3 octahedra,  an edgeedge with one V(1)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(6), one F(2), one F(5), and one F(7) atom. In the fourth V site, V(4) is bonded to one O(4), one O(5), one O(6), one F(1), one F(4), and one F(8) atom to form VO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent V(5)O3F3 octahedra, corners with two equivalent V(6)O3F3 octahedra, corners with four equivalent V(7)O3F3 octahedra, and  an edgeedge with one V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. In the fifth V site, V(5) is bonded to one O(1), one O(2), one O(8), one F(4), one F(6), and one F(8) atom to form a mixture of edge and corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the sixth V site, V(6) is bonded to one O(3), one O(6), one O(7), one F(1), one F(2), and one F(7) atom to form VO3F3 octahedra that share corners with two equivalent V(2)O3F3 octahedra, corners with two equivalent V(4)O3F3 octahedra,  an edgeedge with one V(7)O3F3 octahedra,  an edgeedge with one V(8)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. In the seventh V site, V(7) is bonded to one O(1), one O(4), one O(5), one F(1), one F(7), and one F(8) atom to form a mixture of edge and corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. In the eighth V site, V(8) is bonded to one O(2), one O(7), one O(8), one F(2), one F(3), and one F(5) atom to form VO3F3 octahedra that share corners with two equivalent V(1)O3F3 octahedra, corners with four equivalent V(2)O3F3 octahedra,  an edgeedge with one V(5)O3F3 octahedra,  an edgeedge with one V(6)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one V(5), and one V(7) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(2), one V(5), and one V(8) atom. In the third O site, O(3) is bonded to one Mg(1), one V(2), one V(3), and one V(6) atom to form a mixture of distorted edge and corner-sharing OMgV3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(3), one V(4), and one V(7) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one V(1), one V(4), and one V(7) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(3), one V(4), and one V(6) atom. In the seventh O site, O(7) is bonded to one Mg(1), one V(2), one V(6), and one V(8) atom to form a mixture of edge and corner-sharing OMgV3 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(1), one V(5), and one V(8) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one V(4), one V(6), and one V(7) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(3), one V(6), and one V(8) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one V(8) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one V(1), one V(4), and one V(5) atom. In the fifth F site, F(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), one V(3), and one V(8) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(5) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one V(3), one V(6), and one V(7) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one V(4), one V(5), and one V(7) atom. is represented by the CIF card [CIF]
data_MgV8(OF)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.910
_cell_length_b   10.688
_cell_length_c   5.659
_cell_angle_alpha   84.789
_cell_angle_beta   89.175
_cell_angle_gamma   89.843
_symmetry_Int_Tables_number   1
_cell_volume   295.661
_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  0.491  0.857  0.871  1.0
  V  V1  1  0.476  0.267  0.733  1.0
  V  V2  1  0.513  0.002  0.454  1.0
  V  V3  1  0.528  0.711  0.306  1.0
  V  V4  1  0.493  0.509  0.011  1.0
  V  V5  1  0.979  0.242  0.244  1.0
  V  V6  1  0.010  0.753  0.752  1.0
  V  V7  1  0.987  0.477  0.521  1.0
  V  V8  1  0.017  0.024  0.969  1.0
  O  O9  1  0.807  0.308  0.525  1.0
  O  O10  1  0.800  0.070  0.250  1.0
  O  O11  1  0.653  0.828  0.546  1.0
  O  O12  1  0.716  0.557  0.307  1.0
  O  O13  1  0.311  0.426  0.722  1.0
  O  O14  1  0.346  0.694  0.993  1.0
  O  O15  1  0.188  0.941  0.703  1.0
  O  O16  1  0.189  0.184  0.963  1.0
  F  F17  1  0.825  0.571  0.794  1.0
  F  F18  1  0.827  0.836  0.048  1.0
  F  F19  1  0.667  0.066  0.766  1.0
  F  F20  1  0.689  0.323  0.024  1.0
  F  F21  1  0.329  0.931  0.171  1.0
  F  F22  1  0.305  0.175  0.450  1.0
  F  F23  1  0.183  0.658  0.482  1.0
  F  F24  1  0.185  0.414  0.229  1.0
[/CIF]
.