The material structure described by Li4Cr3AlO8 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 2-coordinate geometry to one O(3), one O(4), and one O(7) atom. 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(2), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms. In the fifth Li site, Li(5) is bonded in a 2-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted linear geometry to one O(4), one O(6), and one O(7) atom. In the second Cr site, Cr(2) is bonded in a distorted linear geometry to one O(2), one O(3), one O(4), and one O(8) atom. In the third Cr site, Cr(3) is bonded in a distorted linear geometry to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms. Al(1) is bonded in a distorted linear geometry to one O(2), one O(5), 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(4), one Li(5), and one Cr(3) 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(2), one Cr(3), and one Al(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(3), one Cr(1), one Cr(2), and one Cr(3) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(2), one Li(4), one Li(5), two equivalent Cr(3), and one Al(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(4), one Cr(1), one Cr(3), and one Al(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Li(1) and one Cr(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(2) and one Cr(2) atom. is represented by the CIF card [CIF]
data_Li4AlCr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.109
_cell_length_b   5.866
_cell_length_c   10.571
_cell_angle_alpha   106.074
_cell_angle_beta   94.576
_cell_angle_gamma   106.667
_symmetry_Int_Tables_number   1
_cell_volume   287.257
_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  0.750  0.000  1.0
  Li  Li1  1  0.500  0.126  0.749  1.0
  Li  Li2  1  0.501  0.375  0.251  1.0
  Li  Li3  1  0.500  0.000  0.500  1.0
  Li  Li4  1  0.500  0.250  1.000  1.0
  Li  Li5  1  0.499  0.625  0.749  1.0
  Li  Li6  1  0.500  0.874  0.251  1.0
  Li  Li7  1  0.500  0.500  0.500  1.0
  Al  Al8  1  0.000  0.685  0.377  1.0
  Al  Al9  1  1.000  0.315  0.623  1.0
  Cr  Cr10  1  1.000  0.940  0.873  1.0
  Cr  Cr11  1  1.000  0.563  0.126  1.0
  Cr  Cr12  1  1.000  0.188  0.377  1.0
  Cr  Cr13  1  0.000  0.437  0.874  1.0
  Cr  Cr14  1  0.000  0.812  0.623  1.0
  Cr  Cr15  1  0.000  0.060  0.127  1.0
  O  O16  1  0.783  0.358  0.443  1.0
  O  O17  1  0.220  0.532  0.314  1.0
  O  O18  1  0.773  0.599  0.939  1.0
  O  O19  1  0.227  0.777  0.810  1.0
  O  O20  1  0.220  0.158  0.563  1.0
  O  O21  1  0.778  0.986  0.685  1.0
  O  O22  1  0.773  0.223  0.190  1.0
  O  O23  1  0.227  0.401  0.061  1.0
  O  O24  1  0.780  0.842  0.437  1.0
  O  O25  1  0.222  0.014  0.315  1.0
  O  O26  1  0.773  0.098  0.940  1.0
  O  O27  1  0.222  0.280  0.802  1.0
  O  O28  1  0.780  0.468  0.686  1.0
  O  O29  1  0.778  0.720  0.198  1.0
  O  O30  1  0.217  0.642  0.557  1.0
  O  O31  1  0.227  0.902  0.060  1.0
[/CIF]
.
The material structure described by Li4Cr3AlO8 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 2-coordinate geometry to one O(3), one O(4), and one O(7) atom. 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(2), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms. In the fifth Li site, Li(5) is bonded in a 2-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted linear geometry to one O(4), one O(6), and one O(7) atom. In the second Cr site, Cr(2) is bonded in a distorted linear geometry to one O(2), one O(3), one O(4), and one O(8) atom. In the third Cr site, Cr(3) is bonded in a distorted linear geometry to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms. Al(1) is bonded in a distorted linear geometry to one O(2), one O(5), 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(4), one Li(5), and one Cr(3) 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(2), one Cr(3), and one Al(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(3), one Cr(1), one Cr(2), and one Cr(3) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(2), one Li(4), one Li(5), two equivalent Cr(3), and one Al(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(4), one Cr(1), one Cr(3), and one Al(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Li(1) and one Cr(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(2) and one Cr(2) atom. is represented by the CIF card [CIF]
data_Li4AlCr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.109
_cell_length_b   5.866
_cell_length_c   10.571
_cell_angle_alpha   106.074
_cell_angle_beta   94.576
_cell_angle_gamma   106.667
_symmetry_Int_Tables_number   1
_cell_volume   287.257
_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  0.750  0.000  1.0
  Li  Li1  1  0.500  0.126  0.749  1.0
  Li  Li2  1  0.501  0.375  0.251  1.0
  Li  Li3  1  0.500  0.000  0.500  1.0
  Li  Li4  1  0.500  0.250  1.000  1.0
  Li  Li5  1  0.499  0.625  0.749  1.0
  Li  Li6  1  0.500  0.874  0.251  1.0
  Li  Li7  1  0.500  0.500  0.500  1.0
  Al  Al8  1  0.000  0.685  0.377  1.0
  Al  Al9  1  1.000  0.315  0.623  1.0
  Cr  Cr10  1  1.000  0.940  0.873  1.0
  Cr  Cr11  1  1.000  0.563  0.126  1.0
  Cr  Cr12  1  1.000  0.188  0.377  1.0
  Cr  Cr13  1  0.000  0.437  0.874  1.0
  Cr  Cr14  1  0.000  0.812  0.623  1.0
  Cr  Cr15  1  0.000  0.060  0.127  1.0
  O  O16  1  0.783  0.358  0.443  1.0
  O  O17  1  0.220  0.532  0.314  1.0
  O  O18  1  0.773  0.599  0.939  1.0
  O  O19  1  0.227  0.777  0.810  1.0
  O  O20  1  0.220  0.158  0.563  1.0
  O  O21  1  0.778  0.986  0.685  1.0
  O  O22  1  0.773  0.223  0.190  1.0
  O  O23  1  0.227  0.401  0.061  1.0
  O  O24  1  0.780  0.842  0.437  1.0
  O  O25  1  0.222  0.014  0.315  1.0
  O  O26  1  0.773  0.098  0.940  1.0
  O  O27  1  0.222  0.280  0.802  1.0
  O  O28  1  0.780  0.468  0.686  1.0
  O  O29  1  0.778  0.720  0.198  1.0
  O  O30  1  0.217  0.642  0.557  1.0
  O  O31  1  0.227  0.902  0.060  1.0
[/CIF]
.