The material described by Li3Cr3CoO8 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(1), one O(2), and one O(5) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(5), one O(7), two equivalent O(4), and two equivalent O(8) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 2-coordinate geometry to one O(1), one O(6), and two equivalent O(2) atoms. In the second Cr site, Cr(2) is bonded in a 2-coordinate geometry to one O(1), one O(4), one O(5), one O(7), and one O(8) atom. In the third Cr site, Cr(3) is bonded in a 2-coordinate geometry to one O(5) and two equivalent O(8) atoms. Co(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Cr(1), one Cr(2), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), two equivalent Cr(1), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Li(3) and one Co(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Li(4) and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Cr(2), one Cr(3), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Cr(1), and two equivalent Co(1) atoms. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Li(4) and one Cr(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to two equivalent Li(4), one Cr(2), and two equivalent Cr(3) atoms. is represented by the CIF file [CIF]
data_Li3Cr3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.090
_cell_length_b   5.860
_cell_length_c   10.554
_cell_angle_alpha   106.017
_cell_angle_beta   94.507
_cell_angle_gamma   106.572
_symmetry_Int_Tables_number   1
_cell_volume   285.777
_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  0.500  0.000  0.500  1.0
  Li  Li1  1  0.503  0.867  0.253  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.507  0.261  0.003  1.0
  Li  Li4  1  0.497  0.133  0.747  1.0
  Li  Li5  1  0.493  0.739  0.997  1.0
  Cr  Cr6  1  0.001  0.810  0.624  1.0
  Cr  Cr7  1  0.009  0.063  0.128  1.0
  Cr  Cr8  1  0.999  0.190  0.376  1.0
  Cr  Cr9  1  0.005  0.563  0.129  1.0
  Cr  Cr10  1  0.991  0.937  0.872  1.0
  Cr  Cr11  1  0.995  0.437  0.871  1.0
  Co  Co12  1  0.992  0.685  0.376  1.0
  Co  Co13  1  0.008  0.315  0.624  1.0
  O  O14  1  0.785  0.996  0.682  1.0
  O  O15  1  0.773  0.848  0.438  1.0
  O  O16  1  0.787  0.464  0.683  1.0
  O  O17  1  0.773  0.097  0.944  1.0
  O  O18  1  0.789  0.739  0.190  1.0
  O  O19  1  0.791  0.353  0.450  1.0
  O  O20  1  0.790  0.218  0.188  1.0
  O  O21  1  0.778  0.596  0.946  1.0
  O  O22  1  0.209  0.647  0.550  1.0
  O  O23  1  0.215  0.004  0.318  1.0
  O  O24  1  0.213  0.536  0.317  1.0
  O  O25  1  0.227  0.152  0.562  1.0
  O  O26  1  0.227  0.903  0.056  1.0
  O  O27  1  0.222  0.404  0.054  1.0
  O  O28  1  0.210  0.782  0.812  1.0
  O  O29  1  0.211  0.261  0.810  1.0
[/CIF]
.
The material described by Li3Cr3CoO8 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(1), one O(2), and one O(5) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(5), one O(7), two equivalent O(4), and two equivalent O(8) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 2-coordinate geometry to one O(1), one O(6), and two equivalent O(2) atoms. In the second Cr site, Cr(2) is bonded in a 2-coordinate geometry to one O(1), one O(4), one O(5), one O(7), and one O(8) atom. In the third Cr site, Cr(3) is bonded in a 2-coordinate geometry to one O(5) and two equivalent O(8) atoms. Co(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Cr(1), one Cr(2), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), two equivalent Cr(1), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Li(3) and one Co(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Li(4) and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Cr(2), one Cr(3), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Cr(1), and two equivalent Co(1) atoms. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Li(4) and one Cr(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to two equivalent Li(4), one Cr(2), and two equivalent Cr(3) atoms. is represented by the CIF file [CIF]
data_Li3Cr3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.090
_cell_length_b   5.860
_cell_length_c   10.554
_cell_angle_alpha   106.017
_cell_angle_beta   94.507
_cell_angle_gamma   106.572
_symmetry_Int_Tables_number   1
_cell_volume   285.777
_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  0.500  0.000  0.500  1.0
  Li  Li1  1  0.503  0.867  0.253  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.507  0.261  0.003  1.0
  Li  Li4  1  0.497  0.133  0.747  1.0
  Li  Li5  1  0.493  0.739  0.997  1.0
  Cr  Cr6  1  0.001  0.810  0.624  1.0
  Cr  Cr7  1  0.009  0.063  0.128  1.0
  Cr  Cr8  1  0.999  0.190  0.376  1.0
  Cr  Cr9  1  0.005  0.563  0.129  1.0
  Cr  Cr10  1  0.991  0.937  0.872  1.0
  Cr  Cr11  1  0.995  0.437  0.871  1.0
  Co  Co12  1  0.992  0.685  0.376  1.0
  Co  Co13  1  0.008  0.315  0.624  1.0
  O  O14  1  0.785  0.996  0.682  1.0
  O  O15  1  0.773  0.848  0.438  1.0
  O  O16  1  0.787  0.464  0.683  1.0
  O  O17  1  0.773  0.097  0.944  1.0
  O  O18  1  0.789  0.739  0.190  1.0
  O  O19  1  0.791  0.353  0.450  1.0
  O  O20  1  0.790  0.218  0.188  1.0
  O  O21  1  0.778  0.596  0.946  1.0
  O  O22  1  0.209  0.647  0.550  1.0
  O  O23  1  0.215  0.004  0.318  1.0
  O  O24  1  0.213  0.536  0.317  1.0
  O  O25  1  0.227  0.152  0.562  1.0
  O  O26  1  0.227  0.903  0.056  1.0
  O  O27  1  0.222  0.404  0.054  1.0
  O  O28  1  0.210  0.782  0.812  1.0
  O  O29  1  0.211  0.261  0.810  1.0
[/CIF]
.