The material described by LiCo3(OF3)2 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(12), one F(4), one F(5), one F(8), and one F(9) atom to form LiF6 octahedra that share corners with two equivalent Co(5)O2F4 octahedra, corners with two equivalent Co(6)O2F4 octahedra, corners with four equivalent Co(1)O2F4 octahedra,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the second Li site, Li(2) is bonded to one F(10), one F(11), one F(2), one F(3), one F(6), and one F(7) atom to form LiF6 octahedra that share corners with two equivalent Co(3)O2F4 octahedra, corners with two equivalent Co(4)O2F4 octahedra, corners with four equivalent Co(2)O2F4 octahedra,  an edgeedge with one Co(5)O2F4 octahedra, and  an edgeedge with one Co(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(4), one F(1), one F(4), one F(5), and one F(8) atom to form CoO2F4 octahedra that share corners with two equivalent Co(3)O2F4 octahedra, corners with two equivalent Co(4)O2F4 octahedra, corners with four equivalent Li(1)F6 octahedra,  an edgeedge with one Co(5)O2F4 octahedra, and  an edgeedge with one Co(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second Co site, Co(2) is bonded to one O(2), one O(3), one F(2), one F(3), one F(6), and one F(7) atom to form CoO2F4 octahedra that share corners with two equivalent Co(5)O2F4 octahedra, corners with two equivalent Co(6)O2F4 octahedra, corners with four equivalent Li(2)F6 octahedra,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the third Co site, Co(3) is bonded to one O(3), one O(4), one F(11), one F(12), one F(4), and one F(7) atom to form CoO2F4 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Co(1)O2F4 octahedra, corners with four equivalent Co(6)O2F4 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Co(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one F(1), one F(10), one F(6), and one F(9) atom to form CoO2F4 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Co(1)O2F4 octahedra, corners with four equivalent Co(5)O2F4 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Co(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one F(10), one F(2), one F(5), and one F(9) atom to form CoO2F4 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with four equivalent Co(4)O2F4 octahedra,  an edgeedge with one Li(2)F6 octahedra, and  an edgeedge with one Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the sixth Co site, Co(6) is bonded to one O(3), one O(4), one F(11), one F(12), one F(3), and one F(8) atom to form CoO2F4 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with four equivalent Co(3)O2F4 octahedra,  an edgeedge with one Li(2)F6 octahedra, and  an edgeedge with one Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Co(6) atom. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one Co(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(2), one Co(2), and one Co(5) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(2), one Co(2), and one Co(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one Co(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one Co(5) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one Co(4) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one Co(3) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one Co(6) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(4), and one Co(5) atom. In the tenth F site, F(10) is bonded in a distorted T-shaped geometry to one Li(2), one Co(4), and one Co(5) atom. In the eleventh F site, F(11) is bonded in a distorted T-shaped geometry to one Li(2), one Co(3), and one Co(6) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(3), and one Co(6) atom. is represented by the CIF card [CIF]
data_LiCo3(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.602
_cell_length_b   5.519
_cell_length_c   10.281
_cell_angle_alpha   97.347
_cell_angle_beta   89.331
_cell_angle_gamma   90.094
_symmetry_Int_Tables_number   1
_cell_volume   258.955
_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  0.002  0.999  0.998  1.0
  Li  Li1  1  0.503  0.001  0.502  1.0
  Co  Co2  1  0.501  0.499  0.001  1.0
  Co  Co3  1  0.002  0.501  0.500  1.0
  Co  Co4  1  0.030  0.270  0.752  1.0
  Co  Co5  1  0.966  0.732  0.245  1.0
  Co  Co6  1  0.470  0.268  0.257  1.0
  Co  Co7  1  0.527  0.727  0.744  1.0
  O  O8  1  0.691  0.527  0.172  1.0
  O  O9  1  0.187  0.469  0.334  1.0
  O  O10  1  0.811  0.530  0.668  1.0
  O  O11  1  0.307  0.476  0.826  1.0
  F  F12  1  0.198  0.717  0.074  1.0
  F  F13  1  0.688  0.275  0.423  1.0
  F  F14  1  0.311  0.725  0.578  1.0
  F  F15  1  0.803  0.281  0.926  1.0
  F  F16  1  0.302  0.230  0.076  1.0
  F  F17  1  0.800  0.774  0.425  1.0
  F  F18  1  0.200  0.227  0.573  1.0
  F  F19  1  0.697  0.769  0.926  1.0
  F  F20  1  0.778  0.031  0.181  1.0
  F  F21  1  0.275  0.965  0.314  1.0
  F  F22  1  0.726  0.033  0.687  1.0
  F  F23  1  0.225  0.973  0.818  1.0
[/CIF]
.
The material described by LiCo3(OF3)2 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(12), one F(4), one F(5), one F(8), and one F(9) atom to form LiF6 octahedra that share corners with two equivalent Co(5)O2F4 octahedra, corners with two equivalent Co(6)O2F4 octahedra, corners with four equivalent Co(1)O2F4 octahedra,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the second Li site, Li(2) is bonded to one F(10), one F(11), one F(2), one F(3), one F(6), and one F(7) atom to form LiF6 octahedra that share corners with two equivalent Co(3)O2F4 octahedra, corners with two equivalent Co(4)O2F4 octahedra, corners with four equivalent Co(2)O2F4 octahedra,  an edgeedge with one Co(5)O2F4 octahedra, and  an edgeedge with one Co(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(4), one F(1), one F(4), one F(5), and one F(8) atom to form CoO2F4 octahedra that share corners with two equivalent Co(3)O2F4 octahedra, corners with two equivalent Co(4)O2F4 octahedra, corners with four equivalent Li(1)F6 octahedra,  an edgeedge with one Co(5)O2F4 octahedra, and  an edgeedge with one Co(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second Co site, Co(2) is bonded to one O(2), one O(3), one F(2), one F(3), one F(6), and one F(7) atom to form CoO2F4 octahedra that share corners with two equivalent Co(5)O2F4 octahedra, corners with two equivalent Co(6)O2F4 octahedra, corners with four equivalent Li(2)F6 octahedra,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the third Co site, Co(3) is bonded to one O(3), one O(4), one F(11), one F(12), one F(4), and one F(7) atom to form CoO2F4 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Co(1)O2F4 octahedra, corners with four equivalent Co(6)O2F4 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Co(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one F(1), one F(10), one F(6), and one F(9) atom to form CoO2F4 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Co(1)O2F4 octahedra, corners with four equivalent Co(5)O2F4 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Co(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one F(10), one F(2), one F(5), and one F(9) atom to form CoO2F4 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with four equivalent Co(4)O2F4 octahedra,  an edgeedge with one Li(2)F6 octahedra, and  an edgeedge with one Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the sixth Co site, Co(6) is bonded to one O(3), one O(4), one F(11), one F(12), one F(3), and one F(8) atom to form CoO2F4 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with four equivalent Co(3)O2F4 octahedra,  an edgeedge with one Li(2)F6 octahedra, and  an edgeedge with one Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Co(6) atom. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one Co(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(2), one Co(2), and one Co(5) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(2), one Co(2), and one Co(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one Co(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one Co(5) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one Co(4) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one Co(3) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one Co(6) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(4), and one Co(5) atom. In the tenth F site, F(10) is bonded in a distorted T-shaped geometry to one Li(2), one Co(4), and one Co(5) atom. In the eleventh F site, F(11) is bonded in a distorted T-shaped geometry to one Li(2), one Co(3), and one Co(6) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(3), and one Co(6) atom. is represented by the CIF card [CIF]
data_LiCo3(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.602
_cell_length_b   5.519
_cell_length_c   10.281
_cell_angle_alpha   97.347
_cell_angle_beta   89.331
_cell_angle_gamma   90.094
_symmetry_Int_Tables_number   1
_cell_volume   258.955
_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  0.002  0.999  0.998  1.0
  Li  Li1  1  0.503  0.001  0.502  1.0
  Co  Co2  1  0.501  0.499  0.001  1.0
  Co  Co3  1  0.002  0.501  0.500  1.0
  Co  Co4  1  0.030  0.270  0.752  1.0
  Co  Co5  1  0.966  0.732  0.245  1.0
  Co  Co6  1  0.470  0.268  0.257  1.0
  Co  Co7  1  0.527  0.727  0.744  1.0
  O  O8  1  0.691  0.527  0.172  1.0
  O  O9  1  0.187  0.469  0.334  1.0
  O  O10  1  0.811  0.530  0.668  1.0
  O  O11  1  0.307  0.476  0.826  1.0
  F  F12  1  0.198  0.717  0.074  1.0
  F  F13  1  0.688  0.275  0.423  1.0
  F  F14  1  0.311  0.725  0.578  1.0
  F  F15  1  0.803  0.281  0.926  1.0
  F  F16  1  0.302  0.230  0.076  1.0
  F  F17  1  0.800  0.774  0.425  1.0
  F  F18  1  0.200  0.227  0.573  1.0
  F  F19  1  0.697  0.769  0.926  1.0
  F  F20  1  0.778  0.031  0.181  1.0
  F  F21  1  0.275  0.965  0.314  1.0
  F  F22  1  0.726  0.033  0.687  1.0
  F  F23  1  0.225  0.973  0.818  1.0
[/CIF]
.