The crystal structure described by Li4Cr3NiO8 is alpha Po-derived structured and crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with six equivalent Cr(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with six equivalent Cr(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the fifth Li site, Li(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with six equivalent Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the sixth Li site, Li(6) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with six equivalent Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the third Cr site, Cr(3) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the fourth Cr site, Cr(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second Ni site, Ni(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Li(6), one Cr(1), one Cr(2), and one Cr(3) atom to form OLi3Cr3 octahedra that share corners with three equivalent O(1)Li3Cr3 octahedra, corners with three equivalent O(2)Li3Cr3 octahedra,  an edgeedge with one O(3)Li3Cr2Ni octahedra,  an edgeedge with one O(6)Li3Cr2Ni octahedra,  an edgeedge with one O(7)Li3Cr2Ni octahedra, edges with three equivalent O(4)Li3Cr2Ni octahedra, edges with three equivalent O(5)Li3Cr2Ni octahedra, and edges with three equivalent O(8)Li3Cr2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(5), one Cr(2), one Cr(3), and one Cr(4) atom to form OLi3Cr3 octahedra that share corners with three equivalent O(1)Li3Cr3 octahedra, corners with three equivalent O(2)Li3Cr3 octahedra,  an edgeedge with one O(4)Li3Cr2Ni octahedra,  an edgeedge with one O(5)Li3Cr2Ni octahedra,  an edgeedge with one O(8)Li3Cr2Ni octahedra, edges with three equivalent O(3)Li3Cr2Ni octahedra, edges with three equivalent O(6)Li3Cr2Ni octahedra, and edges with three equivalent O(7)Li3Cr2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(5), one Cr(2), one Cr(4), and one Ni(2) atom to form OLi3Cr2Ni octahedra that share corners with three equivalent O(3)Li3Cr2Ni octahedra, corners with three equivalent O(4)Li3Cr2Ni octahedra,  an edgeedge with one O(5)Li3Cr2Ni octahedra,  an edgeedge with one O(8)Li3Cr2Ni octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra, edges with three equivalent O(6)Li3Cr2Ni octahedra, edges with three equivalent O(7)Li3Cr2Ni octahedra, and edges with three equivalent O(2)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Li(6), one Cr(1), one Cr(2), and one Ni(1) atom to form OLi3Cr2Ni octahedra that share corners with three equivalent O(3)Li3Cr2Ni octahedra, corners with three equivalent O(4)Li3Cr2Ni octahedra,  an edgeedge with one O(6)Li3Cr2Ni octahedra,  an edgeedge with one O(7)Li3Cr2Ni octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with three equivalent O(5)Li3Cr2Ni octahedra, edges with three equivalent O(8)Li3Cr2Ni octahedra, and edges with three equivalent O(1)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(6), one Cr(2), one Cr(3), and one Ni(1) atom to form OLi3Cr2Ni octahedra that share corners with three equivalent O(5)Li3Cr2Ni octahedra, corners with three equivalent O(6)Li3Cr2Ni octahedra,  an edgeedge with one O(3)Li3Cr2Ni octahedra,  an edgeedge with one O(7)Li3Cr2Ni octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with three equivalent O(4)Li3Cr2Ni octahedra, edges with three equivalent O(8)Li3Cr2Ni octahedra, and edges with three equivalent O(1)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(5), one Cr(2), one Cr(3), and one Ni(2) atom to form OLi3Cr2Ni octahedra that share corners with three equivalent O(5)Li3Cr2Ni octahedra, corners with three equivalent O(6)Li3Cr2Ni octahedra,  an edgeedge with one O(4)Li3Cr2Ni octahedra,  an edgeedge with one O(8)Li3Cr2Ni octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra, edges with three equivalent O(3)Li3Cr2Ni octahedra, edges with three equivalent O(7)Li3Cr2Ni octahedra, and edges with three equivalent O(2)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(4), one Cr(3), one Cr(4), and one Ni(2) atom to form OLi3Cr2Ni octahedra that share corners with three equivalent O(7)Li3Cr2Ni octahedra, corners with three equivalent O(8)Li3Cr2Ni octahedra,  an edgeedge with one O(4)Li3Cr2Ni octahedra,  an edgeedge with one O(5)Li3Cr2Ni octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra, edges with three equivalent O(3)Li3Cr2Ni octahedra, edges with three equivalent O(6)Li3Cr2Ni octahedra, and edges with three equivalent O(2)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Cr(1), one Cr(3), and one Ni(1) atom to form OLi3Cr2Ni octahedra that share corners with three equivalent O(7)Li3Cr2Ni octahedra, corners with three equivalent O(8)Li3Cr2Ni octahedra,  an edgeedge with one O(3)Li3Cr2Ni octahedra,  an edgeedge with one O(6)Li3Cr2Ni octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with three equivalent O(4)Li3Cr2Ni octahedra, edges with three equivalent O(5)Li3Cr2Ni octahedra, and edges with three equivalent O(1)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF card [CIF]
data_Li4Cr3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.917
_cell_length_b   5.925
_cell_length_c   10.240
_cell_angle_alpha   72.863
_cell_angle_beta   90.159
_cell_angle_gamma   120.449
_symmetry_Int_Tables_number   1
_cell_volume   291.044
_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  0.749  0.497  0.751  1.0
  Li  Li1  1  0.251  0.503  0.249  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Li  Li4  1  0.256  0.005  0.745  1.0
  Li  Li5  1  0.744  0.994  0.255  1.0
  Li  Li6  1  0.500  1.000  0.000  1.0
  Li  Li7  1  1.000  0.000  0.500  1.0
  Cr  Cr8  1  1.000  0.500  0.500  1.0
  Cr  Cr9  1  0.255  0.502  0.751  1.0
  Cr  Cr10  1  0.746  0.498  0.249  1.0
  Cr  Cr11  1  0.752  0.004  0.749  1.0
  Cr  Cr12  1  0.249  0.997  0.251  1.0
  Cr  Cr13  1  0.500  0.500  1.000  1.0
  Ni  Ni14  1  0.500  1.000  0.500  1.0
  Ni  Ni15  1  0.000  0.000  1.000  1.0
  O  O16  1  0.119  0.260  0.629  1.0
  O  O17  1  0.613  0.258  0.126  1.0
  O  O18  1  0.387  0.742  0.874  1.0
  O  O19  1  0.881  0.740  0.371  1.0
  O  O20  1  0.378  0.272  0.881  1.0
  O  O21  1  0.855  0.255  0.380  1.0
  O  O22  1  0.621  0.761  0.631  1.0
  O  O23  1  0.112  0.755  0.131  1.0
  O  O24  1  0.846  0.744  0.880  1.0
  O  O25  1  0.359  0.754  0.374  1.0
  O  O26  1  0.622  0.728  0.119  1.0
  O  O27  1  0.144  0.745  0.620  1.0
  O  O28  1  0.379  0.239  0.369  1.0
  O  O29  1  0.888  0.245  0.869  1.0
  O  O30  1  0.154  0.256  0.120  1.0
  O  O31  1  0.641  0.246  0.626  1.0
[/CIF]
.
The crystal structure described by Li4Cr3NiO8 is alpha Po-derived structured and crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with six equivalent Cr(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with six equivalent Cr(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the fifth Li site, Li(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with six equivalent Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the sixth Li site, Li(6) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with six equivalent Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the third Cr site, Cr(3) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the fourth Cr site, Cr(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second Ni site, Ni(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Li(6), one Cr(1), one Cr(2), and one Cr(3) atom to form OLi3Cr3 octahedra that share corners with three equivalent O(1)Li3Cr3 octahedra, corners with three equivalent O(2)Li3Cr3 octahedra,  an edgeedge with one O(3)Li3Cr2Ni octahedra,  an edgeedge with one O(6)Li3Cr2Ni octahedra,  an edgeedge with one O(7)Li3Cr2Ni octahedra, edges with three equivalent O(4)Li3Cr2Ni octahedra, edges with three equivalent O(5)Li3Cr2Ni octahedra, and edges with three equivalent O(8)Li3Cr2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(5), one Cr(2), one Cr(3), and one Cr(4) atom to form OLi3Cr3 octahedra that share corners with three equivalent O(1)Li3Cr3 octahedra, corners with three equivalent O(2)Li3Cr3 octahedra,  an edgeedge with one O(4)Li3Cr2Ni octahedra,  an edgeedge with one O(5)Li3Cr2Ni octahedra,  an edgeedge with one O(8)Li3Cr2Ni octahedra, edges with three equivalent O(3)Li3Cr2Ni octahedra, edges with three equivalent O(6)Li3Cr2Ni octahedra, and edges with three equivalent O(7)Li3Cr2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(5), one Cr(2), one Cr(4), and one Ni(2) atom to form OLi3Cr2Ni octahedra that share corners with three equivalent O(3)Li3Cr2Ni octahedra, corners with three equivalent O(4)Li3Cr2Ni octahedra,  an edgeedge with one O(5)Li3Cr2Ni octahedra,  an edgeedge with one O(8)Li3Cr2Ni octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra, edges with three equivalent O(6)Li3Cr2Ni octahedra, edges with three equivalent O(7)Li3Cr2Ni octahedra, and edges with three equivalent O(2)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Li(6), one Cr(1), one Cr(2), and one Ni(1) atom to form OLi3Cr2Ni octahedra that share corners with three equivalent O(3)Li3Cr2Ni octahedra, corners with three equivalent O(4)Li3Cr2Ni octahedra,  an edgeedge with one O(6)Li3Cr2Ni octahedra,  an edgeedge with one O(7)Li3Cr2Ni octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with three equivalent O(5)Li3Cr2Ni octahedra, edges with three equivalent O(8)Li3Cr2Ni octahedra, and edges with three equivalent O(1)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(6), one Cr(2), one Cr(3), and one Ni(1) atom to form OLi3Cr2Ni octahedra that share corners with three equivalent O(5)Li3Cr2Ni octahedra, corners with three equivalent O(6)Li3Cr2Ni octahedra,  an edgeedge with one O(3)Li3Cr2Ni octahedra,  an edgeedge with one O(7)Li3Cr2Ni octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with three equivalent O(4)Li3Cr2Ni octahedra, edges with three equivalent O(8)Li3Cr2Ni octahedra, and edges with three equivalent O(1)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(5), one Cr(2), one Cr(3), and one Ni(2) atom to form OLi3Cr2Ni octahedra that share corners with three equivalent O(5)Li3Cr2Ni octahedra, corners with three equivalent O(6)Li3Cr2Ni octahedra,  an edgeedge with one O(4)Li3Cr2Ni octahedra,  an edgeedge with one O(8)Li3Cr2Ni octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra, edges with three equivalent O(3)Li3Cr2Ni octahedra, edges with three equivalent O(7)Li3Cr2Ni octahedra, and edges with three equivalent O(2)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(4), one Cr(3), one Cr(4), and one Ni(2) atom to form OLi3Cr2Ni octahedra that share corners with three equivalent O(7)Li3Cr2Ni octahedra, corners with three equivalent O(8)Li3Cr2Ni octahedra,  an edgeedge with one O(4)Li3Cr2Ni octahedra,  an edgeedge with one O(5)Li3Cr2Ni octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra, edges with three equivalent O(3)Li3Cr2Ni octahedra, edges with three equivalent O(6)Li3Cr2Ni octahedra, and edges with three equivalent O(2)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Cr(1), one Cr(3), and one Ni(1) atom to form OLi3Cr2Ni octahedra that share corners with three equivalent O(7)Li3Cr2Ni octahedra, corners with three equivalent O(8)Li3Cr2Ni octahedra,  an edgeedge with one O(3)Li3Cr2Ni octahedra,  an edgeedge with one O(6)Li3Cr2Ni octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with three equivalent O(4)Li3Cr2Ni octahedra, edges with three equivalent O(5)Li3Cr2Ni octahedra, and edges with three equivalent O(1)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF card [CIF]
data_Li4Cr3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.917
_cell_length_b   5.925
_cell_length_c   10.240
_cell_angle_alpha   72.863
_cell_angle_beta   90.159
_cell_angle_gamma   120.449
_symmetry_Int_Tables_number   1
_cell_volume   291.044
_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  0.749  0.497  0.751  1.0
  Li  Li1  1  0.251  0.503  0.249  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Li  Li4  1  0.256  0.005  0.745  1.0
  Li  Li5  1  0.744  0.994  0.255  1.0
  Li  Li6  1  0.500  1.000  0.000  1.0
  Li  Li7  1  1.000  0.000  0.500  1.0
  Cr  Cr8  1  1.000  0.500  0.500  1.0
  Cr  Cr9  1  0.255  0.502  0.751  1.0
  Cr  Cr10  1  0.746  0.498  0.249  1.0
  Cr  Cr11  1  0.752  0.004  0.749  1.0
  Cr  Cr12  1  0.249  0.997  0.251  1.0
  Cr  Cr13  1  0.500  0.500  1.000  1.0
  Ni  Ni14  1  0.500  1.000  0.500  1.0
  Ni  Ni15  1  0.000  0.000  1.000  1.0
  O  O16  1  0.119  0.260  0.629  1.0
  O  O17  1  0.613  0.258  0.126  1.0
  O  O18  1  0.387  0.742  0.874  1.0
  O  O19  1  0.881  0.740  0.371  1.0
  O  O20  1  0.378  0.272  0.881  1.0
  O  O21  1  0.855  0.255  0.380  1.0
  O  O22  1  0.621  0.761  0.631  1.0
  O  O23  1  0.112  0.755  0.131  1.0
  O  O24  1  0.846  0.744  0.880  1.0
  O  O25  1  0.359  0.754  0.374  1.0
  O  O26  1  0.622  0.728  0.119  1.0
  O  O27  1  0.144  0.745  0.620  1.0
  O  O28  1  0.379  0.239  0.369  1.0
  O  O29  1  0.888  0.245  0.869  1.0
  O  O30  1  0.154  0.256  0.120  1.0
  O  O31  1  0.641  0.246  0.626  1.0
[/CIF]
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