The crystal structure described by LiV4OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one F(1), one F(10), one F(11), one F(4), and one F(9) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one F(11), one F(2), one F(3), one F(4), one F(6), and one F(8) atom. In the second V site, V(2) is bonded in a 4-coordinate geometry to one F(1), one F(11), one F(4), one F(5), and one F(8) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(10), one F(5), one F(7), and one F(9) atom. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to one O(1), one F(10), one F(2), one F(3), one F(6), and one F(7) atom. O(1) is bonded in a bent 120 degrees geometry to one V(3) and one V(4) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one V(3) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one V(2) atom. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(3) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the ninth F site, F(9) is bonded in a distorted single-bond geometry to one Li(1) and one V(3) atom. In the tenth F site, F(10) is bonded in a distorted T-shaped geometry to one Li(1), one V(3), and one V(4) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.258
_cell_length_b   5.523
_cell_length_c   9.036
_cell_angle_alpha   106.682
_cell_angle_beta   89.567
_cell_angle_gamma   118.041
_symmetry_Int_Tables_number   1
_cell_volume   219.301
_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  0.858  0.085  0.630  1.0
  V  V1  1  0.751  0.251  0.243  1.0
  V  V2  1  0.501  0.500  0.499  1.0
  V  V3  1  0.239  0.756  0.762  1.0
  V  V4  1  0.005  0.996  0.992  1.0
  O  O5  1  0.069  0.933  0.817  1.0
  F  F6  1  0.931  0.687  0.570  1.0
  F  F7  1  0.932  0.075  0.177  1.0
  F  F8  1  0.989  0.627  0.134  1.0
  F  F9  1  0.526  0.876  0.379  1.0
  F  F10  1  0.427  0.584  0.672  1.0
  F  F11  1  0.437  0.182  0.069  1.0
  F  F12  1  0.567  0.808  0.931  1.0
  F  F13  1  0.571  0.420  0.323  1.0
  F  F14  1  0.508  0.135  0.623  1.0
  F  F15  1  0.999  0.363  0.870  1.0
  F  F16  1  0.058  0.302  0.442  1.0
[/CIF]
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The crystal structure described by LiV4OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one F(1), one F(10), one F(11), one F(4), and one F(9) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one F(11), one F(2), one F(3), one F(4), one F(6), and one F(8) atom. In the second V site, V(2) is bonded in a 4-coordinate geometry to one F(1), one F(11), one F(4), one F(5), and one F(8) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(10), one F(5), one F(7), and one F(9) atom. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to one O(1), one F(10), one F(2), one F(3), one F(6), and one F(7) atom. O(1) is bonded in a bent 120 degrees geometry to one V(3) and one V(4) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one V(3) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one V(2) atom. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(3) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the ninth F site, F(9) is bonded in a distorted single-bond geometry to one Li(1) and one V(3) atom. In the tenth F site, F(10) is bonded in a distorted T-shaped geometry to one Li(1), one V(3), and one V(4) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.258
_cell_length_b   5.523
_cell_length_c   9.036
_cell_angle_alpha   106.682
_cell_angle_beta   89.567
_cell_angle_gamma   118.041
_symmetry_Int_Tables_number   1
_cell_volume   219.301
_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  0.858  0.085  0.630  1.0
  V  V1  1  0.751  0.251  0.243  1.0
  V  V2  1  0.501  0.500  0.499  1.0
  V  V3  1  0.239  0.756  0.762  1.0
  V  V4  1  0.005  0.996  0.992  1.0
  O  O5  1  0.069  0.933  0.817  1.0
  F  F6  1  0.931  0.687  0.570  1.0
  F  F7  1  0.932  0.075  0.177  1.0
  F  F8  1  0.989  0.627  0.134  1.0
  F  F9  1  0.526  0.876  0.379  1.0
  F  F10  1  0.427  0.584  0.672  1.0
  F  F11  1  0.437  0.182  0.069  1.0
  F  F12  1  0.567  0.808  0.931  1.0
  F  F13  1  0.571  0.420  0.323  1.0
  F  F14  1  0.508  0.135  0.623  1.0
  F  F15  1  0.999  0.363  0.870  1.0
  F  F16  1  0.058  0.302  0.442  1.0
[/CIF]
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