The material described by Li4Co7(OF7)2 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(4), one F(5), one F(6), and one F(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(2), and one F(3) atom. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to two equivalent F(1) and two equivalent F(2) atoms. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to one O(1), one F(1), one F(2), one F(6), and one F(7) atom. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent F(5) atoms. In the fourth Co site, Co(4) is bonded in a distorted square co-planar geometry to two equivalent F(3) and two equivalent F(4) atoms. In the fifth Co site, Co(5) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent F(5) atoms. In the sixth Co site, Co(6) is bonded in a 2-coordinate geometry to two equivalent F(6) and two equivalent F(7) atoms. O(1) is bonded in a 4-coordinate geometry to one Li(2), one Co(2), one Co(3), and one Co(5) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one Co(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one Co(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Li(2) and one Co(4) atom. In the fourth F site, F(4) is bonded in a 2-coordinate geometry to one Li(1) and one Co(4) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(1), one Co(3), and one Co(5) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one Co(6) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one Co(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Co7(OF7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.056
_cell_length_b   6.192
_cell_length_c   10.466
_cell_angle_alpha   106.960
_cell_angle_beta   89.134
_cell_angle_gamma   119.168
_symmetry_Int_Tables_number   1
_cell_volume   323.991
_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  0.462  0.585  0.321  1.0
  Li  Li1  1  0.030  0.888  0.188  1.0
  Li  Li2  1  0.538  0.415  0.679  1.0
  Li  Li3  1  0.970  0.112  0.812  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.741  0.262  0.246  1.0
  Co  Co6  1  0.000  0.500  0.000  1.0
  Co  Co7  1  0.000  0.000  0.500  1.0
  Co  Co8  1  0.500  0.500  0.000  1.0
  Co  Co9  1  0.000  0.500  0.500  1.0
  Co  Co10  1  0.259  0.738  0.754  1.0
  O  O11  1  0.162  0.427  0.890  1.0
  O  O12  1  0.838  0.573  0.110  1.0
  F  F13  1  0.147  0.885  0.879  1.0
  F  F14  1  0.372  0.109  0.122  1.0
  F  F15  1  0.906  0.149  0.615  1.0
  F  F16  1  0.665  0.917  0.369  1.0
  F  F17  1  0.617  0.354  0.878  1.0
  F  F18  1  0.383  0.646  0.122  1.0
  F  F19  1  0.658  0.397  0.372  1.0
  F  F20  1  0.119  0.372  0.377  1.0
  F  F21  1  0.628  0.891  0.878  1.0
  F  F22  1  0.881  0.628  0.623  1.0
  F  F23  1  0.342  0.603  0.628  1.0
  F  F24  1  0.853  0.115  0.121  1.0
  F  F25  1  0.335  0.083  0.631  1.0
  F  F26  1  0.094  0.851  0.385  1.0
[/CIF]
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The material described by Li4Co7(OF7)2 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(4), one F(5), one F(6), and one F(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(2), and one F(3) atom. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to two equivalent F(1) and two equivalent F(2) atoms. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to one O(1), one F(1), one F(2), one F(6), and one F(7) atom. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent F(5) atoms. In the fourth Co site, Co(4) is bonded in a distorted square co-planar geometry to two equivalent F(3) and two equivalent F(4) atoms. In the fifth Co site, Co(5) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent F(5) atoms. In the sixth Co site, Co(6) is bonded in a 2-coordinate geometry to two equivalent F(6) and two equivalent F(7) atoms. O(1) is bonded in a 4-coordinate geometry to one Li(2), one Co(2), one Co(3), and one Co(5) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one Co(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one Co(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Li(2) and one Co(4) atom. In the fourth F site, F(4) is bonded in a 2-coordinate geometry to one Li(1) and one Co(4) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(1), one Co(3), and one Co(5) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one Co(6) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one Co(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Co7(OF7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.056
_cell_length_b   6.192
_cell_length_c   10.466
_cell_angle_alpha   106.960
_cell_angle_beta   89.134
_cell_angle_gamma   119.168
_symmetry_Int_Tables_number   1
_cell_volume   323.991
_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  0.462  0.585  0.321  1.0
  Li  Li1  1  0.030  0.888  0.188  1.0
  Li  Li2  1  0.538  0.415  0.679  1.0
  Li  Li3  1  0.970  0.112  0.812  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.741  0.262  0.246  1.0
  Co  Co6  1  0.000  0.500  0.000  1.0
  Co  Co7  1  0.000  0.000  0.500  1.0
  Co  Co8  1  0.500  0.500  0.000  1.0
  Co  Co9  1  0.000  0.500  0.500  1.0
  Co  Co10  1  0.259  0.738  0.754  1.0
  O  O11  1  0.162  0.427  0.890  1.0
  O  O12  1  0.838  0.573  0.110  1.0
  F  F13  1  0.147  0.885  0.879  1.0
  F  F14  1  0.372  0.109  0.122  1.0
  F  F15  1  0.906  0.149  0.615  1.0
  F  F16  1  0.665  0.917  0.369  1.0
  F  F17  1  0.617  0.354  0.878  1.0
  F  F18  1  0.383  0.646  0.122  1.0
  F  F19  1  0.658  0.397  0.372  1.0
  F  F20  1  0.119  0.372  0.377  1.0
  F  F21  1  0.628  0.891  0.878  1.0
  F  F22  1  0.881  0.628  0.623  1.0
  F  F23  1  0.342  0.603  0.628  1.0
  F  F24  1  0.853  0.115  0.121  1.0
  F  F25  1  0.335  0.083  0.631  1.0
  F  F26  1  0.094  0.851  0.385  1.0
[/CIF]
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