The material described by LiCo3OF5 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form distorted LiOF5 octahedra that share corners with three equivalent Co(1)OF5 octahedra, corners with six equivalent Co(2)OF5 octahedra, edges with three equivalent Co(3)OF5 octahedra, and  a faceface with one Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-67°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form CoOF5 octahedra that share corners with three equivalent Li(1)OF5 octahedra, corners with six equivalent Co(3)OF5 octahedra, edges with three equivalent Co(2)OF5 octahedra, and  a faceface with one Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-67°. In the second Co site, Co(2) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form distorted CoOF5 octahedra that share corners with three equivalent Co(3)OF5 octahedra, corners with six equivalent Li(1)OF5 octahedra, edges with three equivalent Co(1)OF5 octahedra, and  a faceface with one Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. In the third Co site, Co(3) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form distorted CoOF5 octahedra that share corners with three equivalent Co(2)OF5 octahedra, corners with six equivalent Co(1)OF5 octahedra, edges with three equivalent Li(1)OF5 octahedra, and  a faceface with one Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. O(1) is bonded to one Li(1), one Co(1), one Co(2), and one Co(3) atom to form distorted OLiCo3 trigonal pyramids that share corners with two equivalent F(5)LiCo3 trigonal pyramids,  an edgeedge with one F(5)LiCo3 trigonal pyramid, and edges with two equivalent F(4)LiCo3 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(3) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Co(1), one Co(2), and one Co(3) atom. In the third F site, F(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(3) atom. In the fourth F site, F(4) is bonded to one Li(1), one Co(1), one Co(2), and one Co(3) atom to form distorted FLiCo3 trigonal pyramids that share corners with four equivalent F(5)LiCo3 trigonal pyramids and edges with two equivalent O(1)LiCo3 trigonal pyramids. In the fifth F site, F(5) is bonded to one Li(1), one Co(1), one Co(2), and one Co(3) atom to form distorted FLiCo3 trigonal pyramids that share corners with two equivalent O(1)LiCo3 trigonal pyramids, corners with four equivalent F(4)LiCo3 trigonal pyramids, and  an edgeedge with one O(1)LiCo3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCo3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.234
_cell_length_b   5.622
_cell_length_c   5.296
_cell_angle_alpha   118.741
_cell_angle_beta   60.032
_cell_angle_gamma   117.186
_symmetry_Int_Tables_number   1
_cell_volume   113.450
_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  0.153  0.436  0.164  1.0
  Co  Co1  1  0.367  0.036  0.338  1.0
  Co  Co2  1  0.646  0.938  0.625  1.0
  Co  Co3  1  0.834  0.573  0.879  1.0
  O  O4  1  0.555  0.762  0.254  1.0
  F  F5  1  0.065  0.246  0.453  1.0
  F  F6  1  0.253  0.767  0.936  1.0
  F  F7  1  0.756  0.247  0.039  1.0
  F  F8  1  0.436  0.259  0.757  1.0
  F  F9  1  0.934  0.735  0.555  1.0
[/CIF]
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The material described by LiCo3OF5 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form distorted LiOF5 octahedra that share corners with three equivalent Co(1)OF5 octahedra, corners with six equivalent Co(2)OF5 octahedra, edges with three equivalent Co(3)OF5 octahedra, and  a faceface with one Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-67°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form CoOF5 octahedra that share corners with three equivalent Li(1)OF5 octahedra, corners with six equivalent Co(3)OF5 octahedra, edges with three equivalent Co(2)OF5 octahedra, and  a faceface with one Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-67°. In the second Co site, Co(2) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form distorted CoOF5 octahedra that share corners with three equivalent Co(3)OF5 octahedra, corners with six equivalent Li(1)OF5 octahedra, edges with three equivalent Co(1)OF5 octahedra, and  a faceface with one Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. In the third Co site, Co(3) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form distorted CoOF5 octahedra that share corners with three equivalent Co(2)OF5 octahedra, corners with six equivalent Co(1)OF5 octahedra, edges with three equivalent Li(1)OF5 octahedra, and  a faceface with one Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. O(1) is bonded to one Li(1), one Co(1), one Co(2), and one Co(3) atom to form distorted OLiCo3 trigonal pyramids that share corners with two equivalent F(5)LiCo3 trigonal pyramids,  an edgeedge with one F(5)LiCo3 trigonal pyramid, and edges with two equivalent F(4)LiCo3 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(3) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Co(1), one Co(2), and one Co(3) atom. In the third F site, F(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(3) atom. In the fourth F site, F(4) is bonded to one Li(1), one Co(1), one Co(2), and one Co(3) atom to form distorted FLiCo3 trigonal pyramids that share corners with four equivalent F(5)LiCo3 trigonal pyramids and edges with two equivalent O(1)LiCo3 trigonal pyramids. In the fifth F site, F(5) is bonded to one Li(1), one Co(1), one Co(2), and one Co(3) atom to form distorted FLiCo3 trigonal pyramids that share corners with two equivalent O(1)LiCo3 trigonal pyramids, corners with four equivalent F(4)LiCo3 trigonal pyramids, and  an edgeedge with one O(1)LiCo3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCo3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.234
_cell_length_b   5.622
_cell_length_c   5.296
_cell_angle_alpha   118.741
_cell_angle_beta   60.032
_cell_angle_gamma   117.186
_symmetry_Int_Tables_number   1
_cell_volume   113.450
_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  0.153  0.436  0.164  1.0
  Co  Co1  1  0.367  0.036  0.338  1.0
  Co  Co2  1  0.646  0.938  0.625  1.0
  Co  Co3  1  0.834  0.573  0.879  1.0
  O  O4  1  0.555  0.762  0.254  1.0
  F  F5  1  0.065  0.246  0.453  1.0
  F  F6  1  0.253  0.767  0.936  1.0
  F  F7  1  0.756  0.247  0.039  1.0
  F  F8  1  0.436  0.259  0.757  1.0
  F  F9  1  0.934  0.735  0.555  1.0
[/CIF]
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