The compound described by MgV8(OF)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(4), one O(6), 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(5)O3F3 octahedra,  a cornercorner with one V(8)O3F3 octahedra, edges with two equivalent V(3)O3F3 octahedra, and edges with two equivalent V(4)O3F3 octahedra. The corner-sharing octahedral tilt angles are 41°. 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 a mixture of corner and edge-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. 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 a mixture of corner and edge-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the third V site, V(3) is bonded to one O(3), one O(4), one O(6), one F(2), one F(5), and one F(7) atom to form VO3F3 octahedra that share corners with two equivalent V(8)O3F3 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one V(4)O3F3 octahedra, and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. 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 corners with two equivalent V(5)O3F3 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 47-52°. 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 VO3F3 octahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent V(2)O3F3 octahedra, corners with two equivalent V(4)O3F3 octahedra, corners with four equivalent V(1)O3F3 octahedra, and  an edgeedge with one V(8)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. In the sixth V site, V(6) is bonded in a 6-coordinate geometry to one O(3), one O(6), one O(7), one F(1), one F(2), and one F(7) atom. In the seventh V site, V(7) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one F(1), one F(7), and one F(8) atom. 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  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)O3F3 octahedra, and  an edgeedge with one V(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 trigonal planar geometry to one V(2), one V(5), and one V(8) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(2), one V(3), and one V(6) atom. In the fourth O site, O(4) is bonded to one Mg(1), one V(3), one V(4), and one V(7) atom to form a mixture of corner and edge-sharing OMgV3 trigonal pyramids. 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 to one Mg(1), one V(3), one V(4), and one V(6) atom to form a mixture of corner and edge-sharing OMgV3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(2), one V(6), and one V(8) atom. 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 4-coordinate 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(3), one V(6), and one V(8) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(8) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar 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 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(1), one V(2), and one V(5) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one Mg(1), one V(3), one V(6), and one V(7) atom. In the eighth F site, F(8) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), 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   4.859
_cell_length_b   10.797
_cell_length_c   5.665
_cell_angle_alpha   83.242
_cell_angle_beta   90.905
_cell_angle_gamma   88.246
_symmetry_Int_Tables_number   1
_cell_volume   294.940
_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  0.005  0.624  0.130  1.0
  V  V1  1  0.465  0.255  0.753  1.0
  V  V2  1  0.542  0.992  0.502  1.0
  V  V3  1  0.522  0.748  0.257  1.0
  V  V4  1  0.486  0.499  0.001  1.0
  V  V5  1  0.979  0.234  0.254  1.0
  V  V6  1  0.065  0.785  0.709  1.0
  V  V7  1  0.942  0.461  0.550  1.0
  V  V8  1  0.028  0.013  0.002  1.0
  O  O9  1  0.791  0.302  0.533  1.0
  O  O10  1  0.807  0.069  0.264  1.0
  O  O11  1  0.714  0.829  0.536  1.0
  O  O12  1  0.696  0.565  0.309  1.0
  O  O13  1  0.293  0.418  0.722  1.0
  O  O14  1  0.312  0.682  0.950  1.0
  O  O15  1  0.215  0.945  0.722  1.0
  O  O16  1  0.200  0.178  0.991  1.0
  F  F17  1  0.835  0.572  0.817  1.0
  F  F18  1  0.859  0.820  0.034  1.0
  F  F19  1  0.701  0.078  0.781  1.0
  F  F20  1  0.687  0.320  0.030  1.0
  F  F21  1  0.322  0.928  0.224  1.0
  F  F22  1  0.305  0.169  0.475  1.0
  F  F23  1  0.174  0.676  0.441  1.0
  F  F24  1  0.150  0.427  0.226  1.0
[/CIF]
.
The compound described by MgV8(OF)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(4), one O(6), 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(5)O3F3 octahedra,  a cornercorner with one V(8)O3F3 octahedra, edges with two equivalent V(3)O3F3 octahedra, and edges with two equivalent V(4)O3F3 octahedra. The corner-sharing octahedral tilt angles are 41°. 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 a mixture of corner and edge-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. 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 a mixture of corner and edge-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the third V site, V(3) is bonded to one O(3), one O(4), one O(6), one F(2), one F(5), and one F(7) atom to form VO3F3 octahedra that share corners with two equivalent V(8)O3F3 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one V(4)O3F3 octahedra, and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. 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 corners with two equivalent V(5)O3F3 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 47-52°. 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 VO3F3 octahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent V(2)O3F3 octahedra, corners with two equivalent V(4)O3F3 octahedra, corners with four equivalent V(1)O3F3 octahedra, and  an edgeedge with one V(8)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. In the sixth V site, V(6) is bonded in a 6-coordinate geometry to one O(3), one O(6), one O(7), one F(1), one F(2), and one F(7) atom. In the seventh V site, V(7) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one F(1), one F(7), and one F(8) atom. 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  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)O3F3 octahedra, and  an edgeedge with one V(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 trigonal planar geometry to one V(2), one V(5), and one V(8) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(2), one V(3), and one V(6) atom. In the fourth O site, O(4) is bonded to one Mg(1), one V(3), one V(4), and one V(7) atom to form a mixture of corner and edge-sharing OMgV3 trigonal pyramids. 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 to one Mg(1), one V(3), one V(4), and one V(6) atom to form a mixture of corner and edge-sharing OMgV3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(2), one V(6), and one V(8) atom. 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 4-coordinate 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(3), one V(6), and one V(8) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(8) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar 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 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(1), one V(2), and one V(5) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one Mg(1), one V(3), one V(6), and one V(7) atom. In the eighth F site, F(8) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), 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   4.859
_cell_length_b   10.797
_cell_length_c   5.665
_cell_angle_alpha   83.242
_cell_angle_beta   90.905
_cell_angle_gamma   88.246
_symmetry_Int_Tables_number   1
_cell_volume   294.940
_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  0.005  0.624  0.130  1.0
  V  V1  1  0.465  0.255  0.753  1.0
  V  V2  1  0.542  0.992  0.502  1.0
  V  V3  1  0.522  0.748  0.257  1.0
  V  V4  1  0.486  0.499  0.001  1.0
  V  V5  1  0.979  0.234  0.254  1.0
  V  V6  1  0.065  0.785  0.709  1.0
  V  V7  1  0.942  0.461  0.550  1.0
  V  V8  1  0.028  0.013  0.002  1.0
  O  O9  1  0.791  0.302  0.533  1.0
  O  O10  1  0.807  0.069  0.264  1.0
  O  O11  1  0.714  0.829  0.536  1.0
  O  O12  1  0.696  0.565  0.309  1.0
  O  O13  1  0.293  0.418  0.722  1.0
  O  O14  1  0.312  0.682  0.950  1.0
  O  O15  1  0.215  0.945  0.722  1.0
  O  O16  1  0.200  0.178  0.991  1.0
  F  F17  1  0.835  0.572  0.817  1.0
  F  F18  1  0.859  0.820  0.034  1.0
  F  F19  1  0.701  0.078  0.781  1.0
  F  F20  1  0.687  0.320  0.030  1.0
  F  F21  1  0.322  0.928  0.224  1.0
  F  F22  1  0.305  0.169  0.475  1.0
  F  F23  1  0.174  0.676  0.441  1.0
  F  F24  1  0.150  0.427  0.226  1.0
[/CIF]
.