The material structure described by MgV8(OF)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(4), one O(5), one F(1), one F(2), one F(7), and one F(8) atom to form MgO2F4 octahedra that share  a cornercorner with one V(7)O2F4 octahedra,  a cornercorner with one V(8)O2F4 octahedra,  a cornercorner with one V(6)O3F3 octahedra, edges with two equivalent V(1)O3F3 octahedra, edges with two equivalent V(4)O4F2 octahedra, and  a faceface with one V(7)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(4), one O(5), one O(7), one F(2), one F(4), and one F(7) atom to form VO3F3 octahedra that share corners with two equivalent V(7)O2F4 octahedra, corners with two equivalent V(8)O2F4 octahedra,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one V(4)O4F2 octahedra, and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 37-54°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(7), one O(8), one F(4), and one F(5) atom to form VO4F2 octahedra that share corners with two equivalent V(6)O3F3 octahedra, corners with four equivalent V(8)O2F4 octahedra,  an edgeedge with one V(1)O3F3 octahedra, and  an edgeedge with one V(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-57°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(6), one F(3), one F(5), and one F(6) atom to form VO3F3 octahedra that share corners with two equivalent V(7)O2F4 octahedra, corners with two equivalent V(8)O2F4 octahedra, corners with four equivalent V(6)O3F3 octahedra,  an edgeedge with one V(2)O4F2 octahedra, and  an edgeedge with one V(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the fourth V site, V(4) is bonded to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(8) atom to form VO4F2 octahedra that share corners with two equivalent V(6)O3F3 octahedra, corners with four equivalent V(7)O2F4 octahedra,  an edgeedge with one V(1)O3F3 octahedra,  an edgeedge with one V(3)O3F3 octahedra, and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 36-56°. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(7), one F(2), and one F(7) atom. In the sixth V site, V(6) is bonded to one O(2), one O(6), one O(8), one F(1), one F(3), and one F(6) atom to form distorted VO3F3 octahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent V(4)O4F2 octahedra, corners with four equivalent V(3)O3F3 octahedra,  an edgeedge with one V(7)O2F4 octahedra, and  an edgeedge with one V(8)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-57°. In the seventh V site, V(7) is bonded to one O(3), one O(5), one F(1), one F(2), one F(6), and one F(8) atom to form VO2F4 octahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra, corners with two equivalent V(3)O3F3 octahedra, corners with four equivalent V(4)O4F2 octahedra,  an edgeedge with one V(6)O3F3 octahedra, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 36-54°. In the eighth V site, V(8) is bonded to one O(1), one O(8), one F(3), one F(4), one F(5), and one F(7) atom to form VO2F4 octahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra, corners with two equivalent V(3)O3F3 octahedra, corners with four equivalent V(2)O4F2 octahedra, and  an edgeedge with one V(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-57°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2), one V(5), and one V(8) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(2), one V(3), and one V(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one V(7) atom. In the fourth O site, O(4) is bonded to one Mg(1), one V(1), one V(4), and one V(5) atom to form a mixture of corner and edge-sharing OMgV3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one V(1), one V(4), and one V(7) atom to form a mixture of corner and edge-sharing OMgV3 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one V(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(2), one V(6), and one V(8) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted see-saw-like geometry to one Mg(1), 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(1), one V(5), and one V(7) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one V(3), one V(6), and one V(8) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(8) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to 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(3), one V(6), and one V(7) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), one V(5), and one V(8) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(4), and one V(7) atom. is represented by the CIF file [CIF]
data_MgV8(OF)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.922
_cell_length_b   10.650
_cell_length_c   5.703
_cell_angle_alpha   83.957
_cell_angle_beta   94.331
_cell_angle_gamma   87.999
_symmetry_Int_Tables_number   1
_cell_volume   296.113
_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  0.016  0.369  0.903  1.0
  V  V1  1  0.482  0.252  0.744  1.0
  V  V2  1  0.476  0.990  0.500  1.0
  V  V3  1  0.529  0.743  0.236  1.0
  V  V4  1  0.512  0.507  0.992  1.0
  V  V5  1  0.918  0.203  0.316  1.0
  V  V6  1  0.033  0.768  0.729  1.0
  V  V7  1  0.028  0.512  0.461  1.0
  V  V8  1  0.991  0.998  0.996  1.0
  O  O9  1  0.764  0.053  0.280  1.0
  O  O10  1  0.694  0.813  0.515  1.0
  O  O11  1  0.719  0.571  0.262  1.0
  O  O12  1  0.698  0.327  0.059  1.0
  O  O13  1  0.305  0.435  0.715  1.0
  O  O14  1  0.320  0.673  0.966  1.0
  O  O15  1  0.281  0.164  0.468  1.0
  O  O16  1  0.196  0.924  0.721  1.0
  F  F17  1  0.839  0.556  0.770  1.0
  F  F18  1  0.835  0.331  0.564  1.0
  F  F19  1  0.809  0.818  0.015  1.0
  F  F20  1  0.682  0.076  0.763  1.0
  F  F21  1  0.298  0.911  0.222  1.0
  F  F22  1  0.212  0.679  0.451  1.0
  F  F23  1  0.160  0.187  0.956  1.0
  F  F24  1  0.203  0.433  0.194  1.0
[/CIF]
.
The material structure described by MgV8(OF)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(4), one O(5), one F(1), one F(2), one F(7), and one F(8) atom to form MgO2F4 octahedra that share  a cornercorner with one V(7)O2F4 octahedra,  a cornercorner with one V(8)O2F4 octahedra,  a cornercorner with one V(6)O3F3 octahedra, edges with two equivalent V(1)O3F3 octahedra, edges with two equivalent V(4)O4F2 octahedra, and  a faceface with one V(7)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(4), one O(5), one O(7), one F(2), one F(4), and one F(7) atom to form VO3F3 octahedra that share corners with two equivalent V(7)O2F4 octahedra, corners with two equivalent V(8)O2F4 octahedra,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one V(4)O4F2 octahedra, and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 37-54°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(7), one O(8), one F(4), and one F(5) atom to form VO4F2 octahedra that share corners with two equivalent V(6)O3F3 octahedra, corners with four equivalent V(8)O2F4 octahedra,  an edgeedge with one V(1)O3F3 octahedra, and  an edgeedge with one V(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-57°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(6), one F(3), one F(5), and one F(6) atom to form VO3F3 octahedra that share corners with two equivalent V(7)O2F4 octahedra, corners with two equivalent V(8)O2F4 octahedra, corners with four equivalent V(6)O3F3 octahedra,  an edgeedge with one V(2)O4F2 octahedra, and  an edgeedge with one V(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the fourth V site, V(4) is bonded to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(8) atom to form VO4F2 octahedra that share corners with two equivalent V(6)O3F3 octahedra, corners with four equivalent V(7)O2F4 octahedra,  an edgeedge with one V(1)O3F3 octahedra,  an edgeedge with one V(3)O3F3 octahedra, and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 36-56°. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(7), one F(2), and one F(7) atom. In the sixth V site, V(6) is bonded to one O(2), one O(6), one O(8), one F(1), one F(3), and one F(6) atom to form distorted VO3F3 octahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent V(4)O4F2 octahedra, corners with four equivalent V(3)O3F3 octahedra,  an edgeedge with one V(7)O2F4 octahedra, and  an edgeedge with one V(8)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-57°. In the seventh V site, V(7) is bonded to one O(3), one O(5), one F(1), one F(2), one F(6), and one F(8) atom to form VO2F4 octahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra, corners with two equivalent V(3)O3F3 octahedra, corners with four equivalent V(4)O4F2 octahedra,  an edgeedge with one V(6)O3F3 octahedra, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 36-54°. In the eighth V site, V(8) is bonded to one O(1), one O(8), one F(3), one F(4), one F(5), and one F(7) atom to form VO2F4 octahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra, corners with two equivalent V(3)O3F3 octahedra, corners with four equivalent V(2)O4F2 octahedra, and  an edgeedge with one V(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-57°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2), one V(5), and one V(8) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(2), one V(3), and one V(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one V(7) atom. In the fourth O site, O(4) is bonded to one Mg(1), one V(1), one V(4), and one V(5) atom to form a mixture of corner and edge-sharing OMgV3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one V(1), one V(4), and one V(7) atom to form a mixture of corner and edge-sharing OMgV3 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one V(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(2), one V(6), and one V(8) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted see-saw-like geometry to one Mg(1), 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(1), one V(5), and one V(7) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one V(3), one V(6), and one V(8) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(8) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to 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(3), one V(6), and one V(7) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), one V(5), and one V(8) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(4), and one V(7) atom. is represented by the CIF file [CIF]
data_MgV8(OF)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.922
_cell_length_b   10.650
_cell_length_c   5.703
_cell_angle_alpha   83.957
_cell_angle_beta   94.331
_cell_angle_gamma   87.999
_symmetry_Int_Tables_number   1
_cell_volume   296.113
_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  0.016  0.369  0.903  1.0
  V  V1  1  0.482  0.252  0.744  1.0
  V  V2  1  0.476  0.990  0.500  1.0
  V  V3  1  0.529  0.743  0.236  1.0
  V  V4  1  0.512  0.507  0.992  1.0
  V  V5  1  0.918  0.203  0.316  1.0
  V  V6  1  0.033  0.768  0.729  1.0
  V  V7  1  0.028  0.512  0.461  1.0
  V  V8  1  0.991  0.998  0.996  1.0
  O  O9  1  0.764  0.053  0.280  1.0
  O  O10  1  0.694  0.813  0.515  1.0
  O  O11  1  0.719  0.571  0.262  1.0
  O  O12  1  0.698  0.327  0.059  1.0
  O  O13  1  0.305  0.435  0.715  1.0
  O  O14  1  0.320  0.673  0.966  1.0
  O  O15  1  0.281  0.164  0.468  1.0
  O  O16  1  0.196  0.924  0.721  1.0
  F  F17  1  0.839  0.556  0.770  1.0
  F  F18  1  0.835  0.331  0.564  1.0
  F  F19  1  0.809  0.818  0.015  1.0
  F  F20  1  0.682  0.076  0.763  1.0
  F  F21  1  0.298  0.911  0.222  1.0
  F  F22  1  0.212  0.679  0.451  1.0
  F  F23  1  0.160  0.187  0.956  1.0
  F  F24  1  0.203  0.433  0.194  1.0
[/CIF]
.