The material described by Li2Co2OF6 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one F(1), one F(4), one F(5), and one F(6) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to two equivalent O(1), one F(1), one F(2), one F(5), and one F(6) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(1), one F(2), one F(4), and two equivalent F(3) atoms to form a mixture of distorted edge and corner-sharing CoOF5 octahedra. The corner-sharing octahedral tilt angles are 16°. In the second Co site, Co(2) is bonded to one O(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form a mixture of edge and corner-sharing CoOF5 octahedra. The corner-sharing octahedral tilt angles are 16°. O(1) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Co(1), and one Co(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one Co(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(2), one Co(1), and one Co(2) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one Co(2) and two equivalent Co(1) atoms. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Li(1), one Co(1), and one Co(2) atom. In the fifth F site, F(5) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one Co(2) atom. In the sixth F site, F(6) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Co2OF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.336
_cell_length_b   6.684
_cell_length_c   8.374
_cell_angle_alpha   71.216
_cell_angle_beta   74.809
_cell_angle_gamma   82.712
_symmetry_Int_Tables_number   1
_cell_volume   272.547
_cell_formula_units_Z   2
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  0.101  0.430  0.258  1.0
  Li  Li1  1  0.567  0.254  0.347  1.0
  Li  Li2  1  0.433  0.746  0.653  1.0
  Li  Li3  1  0.899  0.570  0.742  1.0
  Co  Co4  1  0.300  0.001  0.191  1.0
  Co  Co5  1  0.780  0.791  0.295  1.0
  Co  Co6  1  0.220  0.209  0.705  1.0
  Co  Co7  1  0.700  0.999  0.809  1.0
  O  O8  1  0.445  0.880  0.371  1.0
  O  O9  1  0.555  0.120  0.629  1.0
  F  F10  1  0.389  0.286  0.154  1.0
  F  F11  1  0.925  0.078  0.262  1.0
  F  F12  1  0.696  0.919  0.064  1.0
  F  F13  1  0.139  0.732  0.205  1.0
  F  F14  1  0.735  0.510  0.292  1.0
  F  F15  1  0.193  0.295  0.475  1.0
  F  F16  1  0.807  0.705  0.525  1.0
  F  F17  1  0.265  0.490  0.708  1.0
  F  F18  1  0.861  0.268  0.795  1.0
  F  F19  1  0.304  0.081  0.936  1.0
  F  F20  1  0.075  0.922  0.738  1.0
  F  F21  1  0.611  0.714  0.846  1.0
[/CIF]
.
The material described by Li2Co2OF6 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one F(1), one F(4), one F(5), and one F(6) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to two equivalent O(1), one F(1), one F(2), one F(5), and one F(6) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(1), one F(2), one F(4), and two equivalent F(3) atoms to form a mixture of distorted edge and corner-sharing CoOF5 octahedra. The corner-sharing octahedral tilt angles are 16°. In the second Co site, Co(2) is bonded to one O(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form a mixture of edge and corner-sharing CoOF5 octahedra. The corner-sharing octahedral tilt angles are 16°. O(1) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Co(1), and one Co(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one Co(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(2), one Co(1), and one Co(2) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one Co(2) and two equivalent Co(1) atoms. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Li(1), one Co(1), and one Co(2) atom. In the fifth F site, F(5) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one Co(2) atom. In the sixth F site, F(6) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Co2OF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.336
_cell_length_b   6.684
_cell_length_c   8.374
_cell_angle_alpha   71.216
_cell_angle_beta   74.809
_cell_angle_gamma   82.712
_symmetry_Int_Tables_number   1
_cell_volume   272.547
_cell_formula_units_Z   2
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  0.101  0.430  0.258  1.0
  Li  Li1  1  0.567  0.254  0.347  1.0
  Li  Li2  1  0.433  0.746  0.653  1.0
  Li  Li3  1  0.899  0.570  0.742  1.0
  Co  Co4  1  0.300  0.001  0.191  1.0
  Co  Co5  1  0.780  0.791  0.295  1.0
  Co  Co6  1  0.220  0.209  0.705  1.0
  Co  Co7  1  0.700  0.999  0.809  1.0
  O  O8  1  0.445  0.880  0.371  1.0
  O  O9  1  0.555  0.120  0.629  1.0
  F  F10  1  0.389  0.286  0.154  1.0
  F  F11  1  0.925  0.078  0.262  1.0
  F  F12  1  0.696  0.919  0.064  1.0
  F  F13  1  0.139  0.732  0.205  1.0
  F  F14  1  0.735  0.510  0.292  1.0
  F  F15  1  0.193  0.295  0.475  1.0
  F  F16  1  0.807  0.705  0.525  1.0
  F  F17  1  0.265  0.490  0.708  1.0
  F  F18  1  0.861  0.268  0.795  1.0
  F  F19  1  0.304  0.081  0.936  1.0
  F  F20  1  0.075  0.922  0.738  1.0
  F  F21  1  0.611  0.714  0.846  1.0
[/CIF]
.