The crystal structure described by VH6(OF)3 crystallizes in the monoclinic Cm space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in an octahedral geometry to one O(7), two equivalent O(2), one F(6), and two equivalent F(3) atoms. In the second V site, V(2) is bonded in an octahedral geometry to one O(8), two equivalent O(3), one F(7), and two equivalent F(4) atoms. In the third V site, V(3) is bonded in an octahedral geometry to one O(5), two equivalent O(4), one F(8), and two equivalent F(1) atoms. In the fourth V site, V(4) is bonded in an octahedral geometry to one O(6), two equivalent O(1), one F(5), and two equivalent F(2) atoms. There are eleven inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(5) and one F(1) atom. In the second H site, H(2,4) is bonded in a distorted single-bond geometry to one O(6) and one F(2) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(7) and one F(3) atom. In the fourth H site, H(5) is bonded in a distorted single-bond geometry to one O(1) and one F(5) atom. In the fifth H site, H(6) is bonded in a distorted single-bond geometry to one O(2) and one F(6) atom. In the sixth H site, H(7) is bonded in a distorted single-bond geometry to one O(3) and one F(7) atom. In the seventh H site, H(8) is bonded in a distorted linear geometry to one O(4) and one F(8) atom. In the eighth H site, H(9) is bonded in a distorted single-bond geometry to one O(1) and one F(1) atom. In the ninth H site, H(10) is bonded in a distorted linear geometry to one O(2) and one F(2) atom. In the tenth H site, H(11) is bonded in a distorted single-bond geometry to one O(3) and one F(3) atom. In the eleventh H site, H(12) is bonded in a distorted linear geometry to one O(4) and one F(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(4), one H(5), and one H(9) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one H(10), and one H(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one H(11), and one H(7) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(3), one H(12), and one H(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent H(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent H(2,4) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent H(3) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent H(2,4) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one V(3), one H(1), and one H(9) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one V(4); one H(10); and one H(2,4) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one V(1), one H(11), and one H(3) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one V(2); one H(12); and one H(2,4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one V(4) and two equivalent H(5) atoms. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one V(1) and two equivalent H(6) atoms. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one V(2) and two equivalent H(7) atoms. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one V(3) and two equivalent H(8) atoms. is represented by the CIF file [CIF]
data_VH6(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.059
_cell_length_b   5.060
_cell_length_c   5.060
_cell_angle_alpha   91.693
_cell_angle_beta   91.617
_cell_angle_gamma   91.596
_symmetry_Int_Tables_number   1
_cell_volume   129.361
_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
  F  F0  1  0.263  0.263  0.873  1.0
  F  F1  1  0.872  0.262  0.263  1.0
  F  F2  1  0.263  0.873  0.263  1.0
  H  H3  1  0.185  0.549  0.777  1.0
  H  H4  1  0.777  0.185  0.550  1.0
  H  H5  1  0.185  0.777  0.550  1.0
  H  H6  1  0.777  0.550  0.185  1.0
  H  H7  1  0.550  0.184  0.778  1.0
  H  H8  1  0.550  0.778  0.184  1.0
  O  O9  1  0.731  0.129  0.731  1.0
  O  O10  1  0.130  0.731  0.731  1.0
  O  O11  1  0.731  0.731  0.129  1.0
  V  V12  1  0.002  0.001  0.002  1.0
[/CIF]
.
The crystal structure described by VH6(OF)3 crystallizes in the monoclinic Cm space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in an octahedral geometry to one O(7), two equivalent O(2), one F(6), and two equivalent F(3) atoms. In the second V site, V(2) is bonded in an octahedral geometry to one O(8), two equivalent O(3), one F(7), and two equivalent F(4) atoms. In the third V site, V(3) is bonded in an octahedral geometry to one O(5), two equivalent O(4), one F(8), and two equivalent F(1) atoms. In the fourth V site, V(4) is bonded in an octahedral geometry to one O(6), two equivalent O(1), one F(5), and two equivalent F(2) atoms. There are eleven inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(5) and one F(1) atom. In the second H site, H(2,4) is bonded in a distorted single-bond geometry to one O(6) and one F(2) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(7) and one F(3) atom. In the fourth H site, H(5) is bonded in a distorted single-bond geometry to one O(1) and one F(5) atom. In the fifth H site, H(6) is bonded in a distorted single-bond geometry to one O(2) and one F(6) atom. In the sixth H site, H(7) is bonded in a distorted single-bond geometry to one O(3) and one F(7) atom. In the seventh H site, H(8) is bonded in a distorted linear geometry to one O(4) and one F(8) atom. In the eighth H site, H(9) is bonded in a distorted single-bond geometry to one O(1) and one F(1) atom. In the ninth H site, H(10) is bonded in a distorted linear geometry to one O(2) and one F(2) atom. In the tenth H site, H(11) is bonded in a distorted single-bond geometry to one O(3) and one F(3) atom. In the eleventh H site, H(12) is bonded in a distorted linear geometry to one O(4) and one F(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(4), one H(5), and one H(9) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one H(10), and one H(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one H(11), and one H(7) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(3), one H(12), and one H(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent H(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent H(2,4) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent H(3) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent H(2,4) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one V(3), one H(1), and one H(9) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one V(4); one H(10); and one H(2,4) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one V(1), one H(11), and one H(3) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one V(2); one H(12); and one H(2,4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one V(4) and two equivalent H(5) atoms. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one V(1) and two equivalent H(6) atoms. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one V(2) and two equivalent H(7) atoms. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one V(3) and two equivalent H(8) atoms. is represented by the CIF file [CIF]
data_VH6(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.059
_cell_length_b   5.060
_cell_length_c   5.060
_cell_angle_alpha   91.693
_cell_angle_beta   91.617
_cell_angle_gamma   91.596
_symmetry_Int_Tables_number   1
_cell_volume   129.361
_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
  F  F0  1  0.263  0.263  0.873  1.0
  F  F1  1  0.872  0.262  0.263  1.0
  F  F2  1  0.263  0.873  0.263  1.0
  H  H3  1  0.185  0.549  0.777  1.0
  H  H4  1  0.777  0.185  0.550  1.0
  H  H5  1  0.185  0.777  0.550  1.0
  H  H6  1  0.777  0.550  0.185  1.0
  H  H7  1  0.550  0.184  0.778  1.0
  H  H8  1  0.550  0.778  0.184  1.0
  O  O9  1  0.731  0.129  0.731  1.0
  O  O10  1  0.130  0.731  0.731  1.0
  O  O11  1  0.731  0.731  0.129  1.0
  V  V12  1  0.002  0.001  0.002  1.0
[/CIF]
.