The compound described by Li2Co4O3F8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 3-coordinate geometry to one F(1), one F(2), and one F(4) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), one F(1), one F(2), and one F(4) atom. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to two equivalent O(2), one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent Co(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one Li(1), one Co(1), and one Co(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one Co(2) atom. In the third F site, F(3) is bonded in a 1-coordinate geometry to one Co(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Co4O3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.539
_cell_length_b   6.841
_cell_length_c   5.054
_cell_angle_alpha   104.141
_cell_angle_beta   96.741
_cell_angle_gamma   108.765
_symmetry_Int_Tables_number   1
_cell_volume   202.809
_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  0.405  0.678  0.184  1.0
  Li  Li1  1  0.595  0.322  0.816  1.0
  Co  Co2  1  0.969  0.902  0.248  1.0
  Co  Co3  1  0.772  0.346  0.377  1.0
  Co  Co4  1  0.228  0.654  0.623  1.0
  Co  Co5  1  0.031  0.098  0.752  1.0
  O  O6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.956  0.738  0.536  1.0
  O  O8  1  0.044  0.262  0.464  1.0
  F  F9  1  0.807  0.493  0.110  1.0
  F  F10  1  0.667  0.946  0.199  1.0
  F  F11  1  0.499  0.379  0.293  1.0
  F  F12  1  0.249  0.805  0.350  1.0
  F  F13  1  0.751  0.195  0.650  1.0
  F  F14  1  0.501  0.621  0.707  1.0
  F  F15  1  0.333  0.054  0.801  1.0
  F  F16  1  0.193  0.507  0.890  1.0
[/CIF]
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The compound described by Li2Co4O3F8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 3-coordinate geometry to one F(1), one F(2), and one F(4) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), one F(1), one F(2), and one F(4) atom. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to two equivalent O(2), one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent Co(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one Li(1), one Co(1), and one Co(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one Co(2) atom. In the third F site, F(3) is bonded in a 1-coordinate geometry to one Co(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Co4O3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.539
_cell_length_b   6.841
_cell_length_c   5.054
_cell_angle_alpha   104.141
_cell_angle_beta   96.741
_cell_angle_gamma   108.765
_symmetry_Int_Tables_number   1
_cell_volume   202.809
_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  0.405  0.678  0.184  1.0
  Li  Li1  1  0.595  0.322  0.816  1.0
  Co  Co2  1  0.969  0.902  0.248  1.0
  Co  Co3  1  0.772  0.346  0.377  1.0
  Co  Co4  1  0.228  0.654  0.623  1.0
  Co  Co5  1  0.031  0.098  0.752  1.0
  O  O6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.956  0.738  0.536  1.0
  O  O8  1  0.044  0.262  0.464  1.0
  F  F9  1  0.807  0.493  0.110  1.0
  F  F10  1  0.667  0.946  0.199  1.0
  F  F11  1  0.499  0.379  0.293  1.0
  F  F12  1  0.249  0.805  0.350  1.0
  F  F13  1  0.751  0.195  0.650  1.0
  F  F14  1  0.501  0.621  0.707  1.0
  F  F15  1  0.333  0.054  0.801  1.0
  F  F16  1  0.193  0.507  0.890  1.0
[/CIF]
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