The material described by Li7VO5F crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(1) and one O(4) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one F(1) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(4) atom. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one F(1) atom. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one Li(7), one O(2), one O(3), one O(4), and one O(5) atom. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one Li(6), one O(1), one O(4), one O(5), and one F(1) atom. V(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted pentagonal pyramidal geometry to one Li(1), one Li(2), one Li(3), one Li(4), one Li(7), and one V(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(6), and one V(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Li(4), and one Li(6) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(2), one Li(4), one Li(6), and one Li(7) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Li(6), one Li(7), and one V(1) atom. F(1) is bonded in a distorted T-shaped geometry to one Li(3), one Li(5), and one Li(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7VO5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.378
_cell_length_b   5.403
_cell_length_c   5.913
_cell_angle_alpha   117.088
_cell_angle_beta   90.357
_cell_angle_gamma   119.262
_symmetry_Int_Tables_number   1
_cell_volume   127.527
_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
  Li  Li0  1  0.234  0.830  0.632  1.0
  Li  Li1  1  0.473  0.568  0.332  1.0
  Li  Li2  1  0.290  0.596  0.028  1.0
  Li  Li3  1  0.745  0.333  0.014  1.0
  Li  Li4  1  0.485  0.470  0.643  1.0
  Li  Li5  1  0.913  0.193  0.614  1.0
  Li  Li6  1  0.783  0.141  0.374  1.0
  V  V7  1  0.958  0.993  0.983  1.0
  O  O8  1  0.075  0.385  0.233  1.0
  O  O9  1  0.236  0.248  0.818  1.0
  O  O10  1  0.613  0.038  0.741  1.0
  O  O11  1  0.772  0.694  0.220  1.0
  O  O12  1  0.912  0.625  0.760  1.0
  F  F13  1  0.409  0.991  0.258  1.0
[/CIF]
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The material described by Li7VO5F crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(1) and one O(4) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one F(1) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(4) atom. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one F(1) atom. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one Li(7), one O(2), one O(3), one O(4), and one O(5) atom. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one Li(6), one O(1), one O(4), one O(5), and one F(1) atom. V(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted pentagonal pyramidal geometry to one Li(1), one Li(2), one Li(3), one Li(4), one Li(7), and one V(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(6), and one V(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Li(4), and one Li(6) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(2), one Li(4), one Li(6), and one Li(7) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Li(6), one Li(7), and one V(1) atom. F(1) is bonded in a distorted T-shaped geometry to one Li(3), one Li(5), and one Li(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7VO5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.378
_cell_length_b   5.403
_cell_length_c   5.913
_cell_angle_alpha   117.088
_cell_angle_beta   90.357
_cell_angle_gamma   119.262
_symmetry_Int_Tables_number   1
_cell_volume   127.527
_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
  Li  Li0  1  0.234  0.830  0.632  1.0
  Li  Li1  1  0.473  0.568  0.332  1.0
  Li  Li2  1  0.290  0.596  0.028  1.0
  Li  Li3  1  0.745  0.333  0.014  1.0
  Li  Li4  1  0.485  0.470  0.643  1.0
  Li  Li5  1  0.913  0.193  0.614  1.0
  Li  Li6  1  0.783  0.141  0.374  1.0
  V  V7  1  0.958  0.993  0.983  1.0
  O  O8  1  0.075  0.385  0.233  1.0
  O  O9  1  0.236  0.248  0.818  1.0
  O  O10  1  0.613  0.038  0.741  1.0
  O  O11  1  0.772  0.694  0.220  1.0
  O  O12  1  0.912  0.625  0.760  1.0
  F  F13  1  0.409  0.991  0.258  1.0
[/CIF]
.