The structure described by LiCo2OF3 is Spinel-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one F(1), and two equivalent F(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form CoO2F4 octahedra that share corners with four equivalent Co(2)OF5 octahedra, edges with two equivalent Co(1)O2F4 octahedra, and edges with two equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Co site, Co(2) is bonded to one O(1), one F(1), and four equivalent F(2) atoms to form CoOF5 octahedra that share corners with four equivalent Co(1)O2F4 octahedra, corners with four equivalent Co(2)OF5 octahedra, and edges with two equivalent Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. O(1) is bonded to one Li(1), one Co(2), and two equivalent Co(1) atoms to form corner-sharing OLiCo3 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_LiCo2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.193
_cell_length_b   5.999
_cell_length_c   10.291
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.623
_cell_formula_units_Z   4
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  0.975  0.750  0.590  1.0
  Li  Li1  1  0.525  0.750  0.090  1.0
  Li  Li2  1  0.475  0.250  0.910  1.0
  Li  Li3  1  0.025  0.250  0.410  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  Co  Co6  1  0.002  0.250  0.745  1.0
  Co  Co7  1  0.498  0.250  0.245  1.0
  Co  Co8  1  0.500  0.500  0.500  1.0
  Co  Co9  1  0.500  0.000  0.500  1.0
  Co  Co10  1  0.502  0.750  0.755  1.0
  Co  Co11  1  0.998  0.750  0.255  1.0
  O  O12  1  0.832  0.250  0.916  1.0
  O  O13  1  0.668  0.250  0.416  1.0
  O  O14  1  0.332  0.750  0.584  1.0
  O  O15  1  0.168  0.750  0.084  1.0
  F  F16  1  0.791  0.750  0.425  1.0
  F  F17  1  0.771  0.988  0.666  1.0
  F  F18  1  0.771  0.512  0.666  1.0
  F  F19  1  0.729  0.988  0.166  1.0
  F  F20  1  0.729  0.512  0.166  1.0
  F  F21  1  0.709  0.750  0.925  1.0
  F  F22  1  0.291  0.250  0.075  1.0
  F  F23  1  0.271  0.012  0.834  1.0
  F  F24  1  0.271  0.488  0.834  1.0
  F  F25  1  0.229  0.488  0.334  1.0
  F  F26  1  0.229  0.012  0.334  1.0
  F  F27  1  0.209  0.250  0.575  1.0
[/CIF]
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The structure described by LiCo2OF3 is Spinel-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one F(1), and two equivalent F(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form CoO2F4 octahedra that share corners with four equivalent Co(2)OF5 octahedra, edges with two equivalent Co(1)O2F4 octahedra, and edges with two equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Co site, Co(2) is bonded to one O(1), one F(1), and four equivalent F(2) atoms to form CoOF5 octahedra that share corners with four equivalent Co(1)O2F4 octahedra, corners with four equivalent Co(2)OF5 octahedra, and edges with two equivalent Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. O(1) is bonded to one Li(1), one Co(2), and two equivalent Co(1) atoms to form corner-sharing OLiCo3 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_LiCo2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.193
_cell_length_b   5.999
_cell_length_c   10.291
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.623
_cell_formula_units_Z   4
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  0.975  0.750  0.590  1.0
  Li  Li1  1  0.525  0.750  0.090  1.0
  Li  Li2  1  0.475  0.250  0.910  1.0
  Li  Li3  1  0.025  0.250  0.410  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  Co  Co6  1  0.002  0.250  0.745  1.0
  Co  Co7  1  0.498  0.250  0.245  1.0
  Co  Co8  1  0.500  0.500  0.500  1.0
  Co  Co9  1  0.500  0.000  0.500  1.0
  Co  Co10  1  0.502  0.750  0.755  1.0
  Co  Co11  1  0.998  0.750  0.255  1.0
  O  O12  1  0.832  0.250  0.916  1.0
  O  O13  1  0.668  0.250  0.416  1.0
  O  O14  1  0.332  0.750  0.584  1.0
  O  O15  1  0.168  0.750  0.084  1.0
  F  F16  1  0.791  0.750  0.425  1.0
  F  F17  1  0.771  0.988  0.666  1.0
  F  F18  1  0.771  0.512  0.666  1.0
  F  F19  1  0.729  0.988  0.166  1.0
  F  F20  1  0.729  0.512  0.166  1.0
  F  F21  1  0.709  0.750  0.925  1.0
  F  F22  1  0.291  0.250  0.075  1.0
  F  F23  1  0.271  0.012  0.834  1.0
  F  F24  1  0.271  0.488  0.834  1.0
  F  F25  1  0.229  0.488  0.334  1.0
  F  F26  1  0.229  0.012  0.334  1.0
  F  F27  1  0.209  0.250  0.575  1.0
[/CIF]
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