The crystal structure described by Li4Cr3NiO8 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and one O(8) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one O(1), one O(2), one O(7), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a distorted linear geometry to two equivalent O(6) atoms. In the fifth Li site, Li(5) is bonded in a 2-coordinate geometry to one O(2), one O(4), and one O(8) atom. 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(2), and one O(8) atom. In the second Cr site, Cr(2) is bonded in a distorted linear geometry to one O(3), one O(4), one O(5), one O(8), and two equivalent O(6) atoms. In the third Cr site, Cr(3) is bonded in a distorted linear geometry to one O(2), one O(4), one O(7), and one O(8) atom. Ni(1) is bonded in a 2-coordinate geometry to one O(2), one O(4), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(3) and one Cr(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(5), one Cr(1), one Cr(3), and one Ni(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1) and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(5), one Cr(2), one Cr(3), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(2) and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), two equivalent Cr(2), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Li(3) and one Cr(3) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(5), one Cr(1), one Cr(2), and one Cr(3) atom. is represented by the CIF card [CIF]
data_Li4Cr3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.126
_cell_length_b   5.891
_cell_length_c   10.622
_cell_angle_alpha   105.964
_cell_angle_beta   94.539
_cell_angle_gamma   106.907
_symmetry_Int_Tables_number   1
_cell_volume   290.625
_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  0.000  0.500  0.000  1.0
  Li  Li1  1  0.001  0.869  0.754  1.0
  Li  Li2  1  0.999  0.131  0.246  1.0
  Li  Li3  1  0.000  0.750  0.500  1.0
  Li  Li4  1  0.000  0.000  0.000  1.0
  Li  Li5  1  0.004  0.381  0.751  1.0
  Li  Li6  1  0.996  0.619  0.249  1.0
  Li  Li7  1  1.000  0.250  0.500  1.0
  Cr  Cr8  1  0.501  0.939  0.374  1.0
  Cr  Cr9  1  0.501  0.190  0.878  1.0
  Cr  Cr10  1  0.500  0.563  0.627  1.0
  Cr  Cr11  1  0.499  0.810  0.122  1.0
  Cr  Cr12  1  0.500  0.437  0.373  1.0
  Cr  Cr13  1  0.499  0.061  0.626  1.0
  Ni  Ni14  1  0.499  0.688  0.875  1.0
  Ni  Ni15  1  0.501  0.312  0.125  1.0
  O  O16  1  0.276  0.098  0.439  1.0
  O  O17  1  0.730  0.277  0.316  1.0
  O  O18  1  0.277  0.347  0.936  1.0
  O  O19  1  0.733  0.521  0.808  1.0
  O  O20  1  0.724  0.902  0.561  1.0
  O  O21  1  0.270  0.723  0.684  1.0
  O  O22  1  0.279  0.971  0.189  1.0
  O  O23  1  0.733  0.146  0.056  1.0
  O  O24  1  0.279  0.599  0.440  1.0
  O  O25  1  0.724  0.777  0.309  1.0
  O  O26  1  0.267  0.854  0.944  1.0
  O  O27  1  0.721  0.029  0.811  1.0
  O  O28  1  0.276  0.223  0.691  1.0
  O  O29  1  0.267  0.479  0.192  1.0
  O  O30  1  0.721  0.401  0.560  1.0
  O  O31  1  0.723  0.653  0.064  1.0
[/CIF]
.
The crystal structure described by Li4Cr3NiO8 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and one O(8) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one O(1), one O(2), one O(7), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a distorted linear geometry to two equivalent O(6) atoms. In the fifth Li site, Li(5) is bonded in a 2-coordinate geometry to one O(2), one O(4), and one O(8) atom. 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(2), and one O(8) atom. In the second Cr site, Cr(2) is bonded in a distorted linear geometry to one O(3), one O(4), one O(5), one O(8), and two equivalent O(6) atoms. In the third Cr site, Cr(3) is bonded in a distorted linear geometry to one O(2), one O(4), one O(7), and one O(8) atom. Ni(1) is bonded in a 2-coordinate geometry to one O(2), one O(4), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(3) and one Cr(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(5), one Cr(1), one Cr(3), and one Ni(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1) and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(5), one Cr(2), one Cr(3), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(2) and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), two equivalent Cr(2), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Li(3) and one Cr(3) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(5), one Cr(1), one Cr(2), and one Cr(3) atom. is represented by the CIF card [CIF]
data_Li4Cr3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.126
_cell_length_b   5.891
_cell_length_c   10.622
_cell_angle_alpha   105.964
_cell_angle_beta   94.539
_cell_angle_gamma   106.907
_symmetry_Int_Tables_number   1
_cell_volume   290.625
_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  0.000  0.500  0.000  1.0
  Li  Li1  1  0.001  0.869  0.754  1.0
  Li  Li2  1  0.999  0.131  0.246  1.0
  Li  Li3  1  0.000  0.750  0.500  1.0
  Li  Li4  1  0.000  0.000  0.000  1.0
  Li  Li5  1  0.004  0.381  0.751  1.0
  Li  Li6  1  0.996  0.619  0.249  1.0
  Li  Li7  1  1.000  0.250  0.500  1.0
  Cr  Cr8  1  0.501  0.939  0.374  1.0
  Cr  Cr9  1  0.501  0.190  0.878  1.0
  Cr  Cr10  1  0.500  0.563  0.627  1.0
  Cr  Cr11  1  0.499  0.810  0.122  1.0
  Cr  Cr12  1  0.500  0.437  0.373  1.0
  Cr  Cr13  1  0.499  0.061  0.626  1.0
  Ni  Ni14  1  0.499  0.688  0.875  1.0
  Ni  Ni15  1  0.501  0.312  0.125  1.0
  O  O16  1  0.276  0.098  0.439  1.0
  O  O17  1  0.730  0.277  0.316  1.0
  O  O18  1  0.277  0.347  0.936  1.0
  O  O19  1  0.733  0.521  0.808  1.0
  O  O20  1  0.724  0.902  0.561  1.0
  O  O21  1  0.270  0.723  0.684  1.0
  O  O22  1  0.279  0.971  0.189  1.0
  O  O23  1  0.733  0.146  0.056  1.0
  O  O24  1  0.279  0.599  0.440  1.0
  O  O25  1  0.724  0.777  0.309  1.0
  O  O26  1  0.267  0.854  0.944  1.0
  O  O27  1  0.721  0.029  0.811  1.0
  O  O28  1  0.276  0.223  0.691  1.0
  O  O29  1  0.267  0.479  0.192  1.0
  O  O30  1  0.721  0.401  0.560  1.0
  O  O31  1  0.723  0.653  0.064  1.0
[/CIF]
.