The material described by Li3Co5OF11 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one F(3), one F(4), one F(8), and one F(9) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(1), one F(2), one F(7), and one F(9) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one F(10), one F(11), one F(3), and one F(8) atom. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a rectangular see-saw-like geometry to one O(1), one F(10), one F(2), and one F(5) atom. In the second Co site, Co(2) is bonded in a distorted rectangular see-saw-like geometry to one F(1), one F(7), one F(8), and one F(9) atom. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to one O(1), one F(10), one F(11), and one F(6) atom. In the fourth Co site, Co(4) is bonded in a 2-coordinate geometry to one O(1), one F(1), one F(11), and one F(9) atom. In the fifth Co site, Co(5) is bonded in a 2-coordinate geometry to one F(10), one F(6), one F(7), and one F(8) atom. O(1) is bonded in a 4-coordinate geometry to one Li(2), one Co(1), one Co(3), and one Co(4) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Co(2) and one Co(4) atom. In the second F site, F(2) is bonded in a water-like geometry to one Li(2) and one Co(1) atom. In the third F site, F(3) is bonded in a distorted water-like geometry to one Li(1) and one Li(3) atom. In the fourth F site, F(4) is bonded in a 1-coordinate geometry to one Li(1) atom. In the fifth F site, F(5) is bonded in a 1-coordinate geometry to one Co(1) atom. In the sixth F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Co(3) and one Co(5) 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(5) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Co(2), and one Co(5) atom. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(2), and one Co(4) atom. In the tenth F site, F(10) is bonded in a 4-coordinate geometry to one Li(3), one Co(1), one Co(3), and one Co(5) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Co(3), and one Co(4) atom. is represented by the CIF card [CIF]
data_Li3Co5OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.181
_cell_length_b   5.552
_cell_length_c   9.134
_cell_angle_alpha   106.536
_cell_angle_beta   89.094
_cell_angle_gamma   116.908
_symmetry_Int_Tables_number   1
_cell_volume   222.629
_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  0.022  0.035  0.999  1.0
  Li  Li1  1  0.797  0.299  0.266  1.0
  Li  Li2  1  0.269  0.764  0.761  1.0
  Co  Co3  1  0.476  0.495  0.498  1.0
  Co  Co4  1  0.459  0.772  0.146  1.0
  Co  Co5  1  0.951  0.233  0.648  1.0
  Co  Co6  1  0.172  0.005  0.401  1.0
  Co  Co7  1  0.715  0.507  0.907  1.0
  O  O8  1  0.060  0.254  0.457  1.0
  F  F9  1  0.432  0.855  0.352  1.0
  F  F10  1  0.512  0.424  0.289  1.0
  F  F11  1  0.011  0.899  0.803  1.0
  F  F12  1  0.449  0.159  0.042  1.0
  F  F13  1  0.920  0.638  0.543  1.0
  F  F14  1  0.945  0.347  0.847  1.0
  F  F15  1  0.015  0.600  0.103  1.0
  F  F16  1  0.547  0.750  0.951  1.0
  F  F17  1  0.905  0.002  0.195  1.0
  F  F18  1  0.418  0.506  0.709  1.0
  F  F19  1  0.500  0.081  0.608  1.0
[/CIF]
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The material described by Li3Co5OF11 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one F(3), one F(4), one F(8), and one F(9) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(1), one F(2), one F(7), and one F(9) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one F(10), one F(11), one F(3), and one F(8) atom. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a rectangular see-saw-like geometry to one O(1), one F(10), one F(2), and one F(5) atom. In the second Co site, Co(2) is bonded in a distorted rectangular see-saw-like geometry to one F(1), one F(7), one F(8), and one F(9) atom. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to one O(1), one F(10), one F(11), and one F(6) atom. In the fourth Co site, Co(4) is bonded in a 2-coordinate geometry to one O(1), one F(1), one F(11), and one F(9) atom. In the fifth Co site, Co(5) is bonded in a 2-coordinate geometry to one F(10), one F(6), one F(7), and one F(8) atom. O(1) is bonded in a 4-coordinate geometry to one Li(2), one Co(1), one Co(3), and one Co(4) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Co(2) and one Co(4) atom. In the second F site, F(2) is bonded in a water-like geometry to one Li(2) and one Co(1) atom. In the third F site, F(3) is bonded in a distorted water-like geometry to one Li(1) and one Li(3) atom. In the fourth F site, F(4) is bonded in a 1-coordinate geometry to one Li(1) atom. In the fifth F site, F(5) is bonded in a 1-coordinate geometry to one Co(1) atom. In the sixth F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Co(3) and one Co(5) 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(5) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Co(2), and one Co(5) atom. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(2), and one Co(4) atom. In the tenth F site, F(10) is bonded in a 4-coordinate geometry to one Li(3), one Co(1), one Co(3), and one Co(5) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Co(3), and one Co(4) atom. is represented by the CIF card [CIF]
data_Li3Co5OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.181
_cell_length_b   5.552
_cell_length_c   9.134
_cell_angle_alpha   106.536
_cell_angle_beta   89.094
_cell_angle_gamma   116.908
_symmetry_Int_Tables_number   1
_cell_volume   222.629
_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  0.022  0.035  0.999  1.0
  Li  Li1  1  0.797  0.299  0.266  1.0
  Li  Li2  1  0.269  0.764  0.761  1.0
  Co  Co3  1  0.476  0.495  0.498  1.0
  Co  Co4  1  0.459  0.772  0.146  1.0
  Co  Co5  1  0.951  0.233  0.648  1.0
  Co  Co6  1  0.172  0.005  0.401  1.0
  Co  Co7  1  0.715  0.507  0.907  1.0
  O  O8  1  0.060  0.254  0.457  1.0
  F  F9  1  0.432  0.855  0.352  1.0
  F  F10  1  0.512  0.424  0.289  1.0
  F  F11  1  0.011  0.899  0.803  1.0
  F  F12  1  0.449  0.159  0.042  1.0
  F  F13  1  0.920  0.638  0.543  1.0
  F  F14  1  0.945  0.347  0.847  1.0
  F  F15  1  0.015  0.600  0.103  1.0
  F  F16  1  0.547  0.750  0.951  1.0
  F  F17  1  0.905  0.002  0.195  1.0
  F  F18  1  0.418  0.506  0.709  1.0
  F  F19  1  0.500  0.081  0.608  1.0
[/CIF]
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