The crystal structure described by Li4CrO5 crystallizes in the triclinic P-1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(8), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra,  an edgeedge with one Cr(1)O5 trigonal bipyramid, and edges with two equivalent Cr(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-18°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Cr(2)O5 trigonal bipyramids,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Cr(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-13°. In the third Li site, Li(3) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra, corners with two equivalent Cr(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra,  an edgeedge with one Cr(1)O5 trigonal bipyramid, and  an edgeedge with one Cr(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 5-24°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Cr(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with two equivalent Cr(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-21°. In the fifth Li site, Li(5) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Cr(2)O5 trigonal bipyramids, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with two equivalent Cr(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-14°. In the sixth Li site, Li(6) is bonded to one O(4), one O(5), one O(6), one O(9), and two equivalent O(10) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  a cornercorner with one Cr(1)O5 trigonal bipyramid,  a cornercorner with one Cr(2)O5 trigonal bipyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra,  an edgeedge with one Cr(1)O5 trigonal bipyramid, and  an edgeedge with one Cr(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-22°. In the seventh Li site, Li(7) is bonded to one O(8), one O(9), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Cr(1)O5 trigonal bipyramid,  a cornercorner with one Cr(2)O5 trigonal bipyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with three equivalent Li(8)O6 octahedra, and edges with two equivalent Cr(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-25°. In the eighth Li site, Li(8) is bonded to one O(10), one O(3), one O(5), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  a cornercorner with one Cr(1)O5 trigonal bipyramid,  a cornercorner with one Cr(2)O5 trigonal bipyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Li(7)O6 octahedra,  an edgeedge with one Cr(1)O5 trigonal bipyramid, and  an edgeedge with one Cr(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 10-22°. In the ninth Li site, Li(9) is bonded to two equivalent O(10), two equivalent O(6), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Cr(1)O5 trigonal bipyramids, corners with four equivalent Cr(2)O5 trigonal bipyramids, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with four equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-25°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(9) atom to form distorted CrO5 trigonal bipyramids that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-74°. In the second Cr site, Cr(2) is bonded to one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form distorted CrO5 trigonal bipyramids that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(9)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 Li(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-73°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), two equivalent Li(3), and one Cr(1) atom to form distorted OLi5Cr octahedra that share  a cornercorner with one O(10)Li5Cr octahedra,  a cornercorner with one O(2)Li5Cr octahedra,  a cornercorner with one O(3)Li5Cr octahedra,  a cornercorner with one O(4)Li5Cr octahedra,  a cornercorner with one O(7)Li5Cr octahedra,  a cornercorner with one O(6)Li4Cr trigonal bipyramid,  a cornercorner with one O(9)Li4Cr trigonal bipyramid,  an edgeedge with one O(1)Li5Cr octahedra,  an edgeedge with one O(3)Li5Cr octahedra,  an edgeedge with one O(5)Li5Cr octahedra,  an edgeedge with one O(7)Li5Cr octahedra,  an edgeedge with one O(8)Li5Cr octahedra, edges with two equivalent O(2)Li5Cr octahedra, edges with three equivalent O(4)Li5Cr octahedra, and  an edgeedge with one O(6)Li4Cr trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-14°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Cr(2) atom to form OLi5Cr octahedra that share  a cornercorner with one O(1)Li5Cr octahedra,  a cornercorner with one O(2)Li5Cr octahedra,  a cornercorner with one O(5)Li5Cr octahedra,  a cornercorner with one O(8)Li5Cr octahedra,  a cornercorner with one O(6)Li4Cr trigonal bipyramid,  an edgeedge with one O(10)Li5Cr octahedra,  an edgeedge with one O(3)Li5Cr octahedra, edges with two equivalent O(1)Li5Cr octahedra, edges with two equivalent O(4)Li5Cr octahedra, edges with two equivalent O(8)Li5Cr octahedra, edges with three equivalent O(7)Li5Cr octahedra, and  an edgeedge with one O(6)Li4Cr trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(8), two equivalent Li(7), and one Cr(1) atom to form OLi5Cr octahedra that share  a cornercorner with one O(1)Li5Cr octahedra,  a cornercorner with one O(10)Li5Cr octahedra,  a cornercorner with one O(5)Li5Cr octahedra,  a cornercorner with one O(7)Li5Cr octahedra,  a cornercorner with one O(8)Li5Cr octahedra,  an edgeedge with one O(1)Li5Cr octahedra,  an edgeedge with one O(2)Li5Cr octahedra,  an edgeedge with one O(3)Li5Cr octahedra,  an edgeedge with one O(4)Li5Cr octahedra,  an edgeedge with one O(7)Li5Cr octahedra, edges with two equivalent O(8)Li5Cr octahedra, edges with three equivalent O(5)Li5Cr octahedra, and edges with two equivalent O(9)Li4Cr trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-16°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Li(6), two equivalent Li(3), and one Cr(1) atom to form distorted OLi5Cr octahedra that share  a cornercorner with one O(1)Li5Cr octahedra,  a cornercorner with one O(10)Li5Cr octahedra,  a cornercorner with one O(5)Li5Cr octahedra,  a cornercorner with one O(7)Li5Cr octahedra,  a cornercorner with one O(8)Li5Cr octahedra, corners with two equivalent O(6)Li4Cr trigonal bipyramids,  an edgeedge with one O(10)Li5Cr octahedra,  an edgeedge with one O(3)Li5Cr octahedra,  an edgeedge with one O(4)Li5Cr octahedra,  an edgeedge with one O(5)Li5Cr octahedra, edges with two equivalent O(2)Li5Cr octahedra, edges with three equivalent O(1)Li5Cr octahedra,  an edgeedge with one O(6)Li4Cr trigonal bipyramid, and  an edgeedge with one O(9)Li4Cr trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-23°. In the fifth O site, O(5) is bonded to one Li(2), one Li(6), one Li(8), two equivalent Li(7), and one Cr(1) atom to form OLi5Cr octahedra that share  a cornercorner with one O(10)Li5Cr octahedra,  a cornercorner with one O(2)Li5Cr octahedra,  a cornercorner with one O(3)Li5Cr octahedra,  a cornercorner with one O(4)Li5Cr octahedra,  a cornercorner with one O(7)Li5Cr octahedra,  a cornercorner with one O(6)Li4Cr trigonal bipyramid,  a cornercorner with one O(9)Li4Cr trigonal bipyramid,  an edgeedge with one O(1)Li5Cr octahedra,  an edgeedge with one O(10)Li5Cr octahedra,  an edgeedge with one O(4)Li5Cr octahedra,  an edgeedge with one O(5)Li5Cr octahedra, edges with two equivalent O(8)Li5Cr octahedra, edges with three equivalent O(3)Li5Cr octahedra, and edges with two equivalent O(9)Li4Cr trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-23°. In the sixth O site, O(6) is bonded to one Li(3), one Li(4), one Li(6), one Li(9), and one Cr(2) atom to form distorted OLi4Cr trigonal bipyramids that share  a cornercorner with one O(1)Li5Cr octahedra,  a cornercorner with one O(2)Li5Cr octahedra,  a cornercorner with one O(5)Li5Cr octahedra,  a cornercorner with one O(8)Li5Cr octahedra, corners with two equivalent O(4)Li5Cr octahedra,  a cornercorner with one O(6)Li4Cr trigonal bipyramid, corners with three equivalent O(9)Li4Cr trigonal bipyramids,  an edgeedge with one O(1)Li5Cr octahedra,  an edgeedge with one O(2)Li5Cr octahedra,  an edgeedge with one O(4)Li5Cr octahedra,  an edgeedge with one O(7)Li5Cr octahedra, and edges with three equivalent O(10)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 12-86°. In the seventh O site, O(7) is bonded to one Li(4), one Li(5), one Li(8), two equivalent Li(1), and one Cr(2) atom to form OLi5Cr octahedra that share  a cornercorner with one O(1)Li5Cr octahedra,  a cornercorner with one O(10)Li5Cr octahedra,  a cornercorner with one O(3)Li5Cr octahedra,  a cornercorner with one O(4)Li5Cr octahedra,  a cornercorner with one O(5)Li5Cr octahedra,  a cornercorner with one O(7)Li5Cr octahedra,  a cornercorner with one O(9)Li4Cr trigonal bipyramid,  an edgeedge with one O(1)Li5Cr octahedra,  an edgeedge with one O(10)Li5Cr octahedra,  an edgeedge with one O(3)Li5Cr octahedra,  an edgeedge with one O(7)Li5Cr octahedra, edges with three equivalent O(2)Li5Cr octahedra, edges with three equivalent O(8)Li5Cr octahedra, and  an edgeedge with one O(6)Li4Cr trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-25°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(5), one Li(7), one Li(8), and one Cr(2) atom to form OLi5Cr octahedra that share  a cornercorner with one O(2)Li5Cr octahedra,  a cornercorner with one O(3)Li5Cr octahedra,  a cornercorner with one O(4)Li5Cr octahedra,  a cornercorner with one O(8)Li5Cr octahedra,  a cornercorner with one O(6)Li4Cr trigonal bipyramid, corners with two equivalent O(9)Li4Cr trigonal bipyramids,  an edgeedge with one O(1)Li5Cr octahedra,  an edgeedge with one O(10)Li5Cr octahedra, edges with two equivalent O(2)Li5Cr octahedra, edges with two equivalent O(3)Li5Cr octahedra, edges with two equivalent O(5)Li5Cr octahedra, and edges with three equivalent O(7)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the ninth O site, O(9) is bonded to one Li(6), one Li(7), one Li(8), one Li(9), and one Cr(1) atom to form distorted OLi4Cr trigonal bipyramids that share  a cornercorner with one O(1)Li5Cr octahedra,  a cornercorner with one O(10)Li5Cr octahedra,  a cornercorner with one O(5)Li5Cr octahedra,  a cornercorner with one O(7)Li5Cr octahedra, corners with two equivalent O(8)Li5Cr octahedra,  a cornercorner with one O(9)Li4Cr trigonal bipyramid, corners with three equivalent O(6)Li4Cr trigonal bipyramids,  an edgeedge with one O(4)Li5Cr octahedra, edges with two equivalent O(10)Li5Cr octahedra, edges with two equivalent O(3)Li5Cr octahedra, and edges with two equivalent O(5)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 11-86°. In the tenth O site, O(10) is bonded to one Li(4), one Li(8), one Li(9), two equivalent Li(6), and one Cr(2) atom to form OLi5Cr octahedra that share  a cornercorner with one O(1)Li5Cr octahedra,  a cornercorner with one O(10)Li5Cr octahedra,  a cornercorner with one O(3)Li5Cr octahedra,  a cornercorner with one O(4)Li5Cr octahedra,  a cornercorner with one O(5)Li5Cr octahedra,  a cornercorner with one O(7)Li5Cr octahedra,  a cornercorner with one O(9)Li4Cr trigonal bipyramid,  an edgeedge with one O(10)Li5Cr octahedra,  an edgeedge with one O(2)Li5Cr octahedra,  an edgeedge with one O(4)Li5Cr octahedra,  an edgeedge with one O(5)Li5Cr octahedra,  an edgeedge with one O(7)Li5Cr octahedra,  an edgeedge with one O(8)Li5Cr octahedra, edges with two equivalent O(9)Li4Cr trigonal bipyramids, and edges with three equivalent O(6)Li4Cr trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-25°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4CrO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.010
_cell_length_b   8.869
_cell_length_c   8.916
_cell_angle_alpha   113.355
_cell_angle_beta   96.746
_cell_angle_gamma   96.451
_symmetry_Int_Tables_number   1
_cell_volume   355.657
_cell_formula_units_Z   4
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  0.516  0.104  0.915  1.0
  Li  Li1  1  0.977  0.200  0.802  1.0
  Li  Li2  1  0.746  0.048  0.462  1.0
  Li  Li3  1  0.284  0.157  0.357  1.0
  Li  Li4  1  0.000  0.000  0.000  1.0
  Li  Li5  1  0.003  0.396  0.595  1.0
  Li  Li6  1  0.215  0.550  0.935  1.0
  Li  Li7  1  0.742  0.643  0.840  1.0
  Li  Li8  1  0.500  0.500  0.500  1.0
  Li  Li9  1  0.258  0.357  0.160  1.0
  Li  Li10  1  0.785  0.450  0.065  1.0
  Li  Li11  1  0.997  0.604  0.405  1.0
  Li  Li12  1  0.716  0.843  0.643  1.0
  Li  Li13  1  0.254  0.952  0.538  1.0
  Li  Li14  1  0.023  0.800  0.198  1.0
  Li  Li15  1  0.484  0.896  0.085  1.0
  Cr  Cr16  1  0.477  0.299  0.739  1.0
  Cr  Cr17  1  0.787  0.214  0.247  1.0
  Cr  Cr18  1  0.213  0.786  0.753  1.0
  Cr  Cr19  1  0.523  0.701  0.261  1.0
  O  O20  1  0.609  0.103  0.681  1.0
  O  O21  1  0.895  0.031  0.223  1.0
  O  O22  1  0.368  0.320  0.918  1.0
  O  O23  1  0.178  0.181  0.585  1.0
  O  O24  1  0.830  0.405  0.818  1.0
  O  O25  1  0.660  0.272  0.436  1.0
  O  O26  1  0.436  0.143  0.141  1.0
  O  O27  1  0.870  0.229  0.057  1.0
  O  O28  1  0.398  0.479  0.715  1.0
  O  O29  1  0.086  0.364  0.357  1.0
  O  O30  1  0.914  0.636  0.643  1.0
  O  O31  1  0.602  0.521  0.285  1.0
  O  O32  1  0.130  0.771  0.943  1.0
  O  O33  1  0.564  0.857  0.859  1.0
  O  O34  1  0.340  0.728  0.564  1.0
  O  O35  1  0.170  0.595  0.182  1.0
  O  O36  1  0.822  0.819  0.415  1.0
  O  O37  1  0.632  0.680  0.082  1.0
  O  O38  1  0.105  0.969  0.777  1.0
  O  O39  1  0.391  0.897  0.319  1.0
[/CIF]
.
The crystal structure described by Li4CrO5 crystallizes in the triclinic P-1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(8), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra,  an edgeedge with one Cr(1)O5 trigonal bipyramid, and edges with two equivalent Cr(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-18°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Cr(2)O5 trigonal bipyramids,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Cr(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-13°. In the third Li site, Li(3) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra, corners with two equivalent Cr(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra,  an edgeedge with one Cr(1)O5 trigonal bipyramid, and  an edgeedge with one Cr(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 5-24°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Cr(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with two equivalent Cr(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-21°. In the fifth Li site, Li(5) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Cr(2)O5 trigonal bipyramids, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with two equivalent Cr(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-14°. In the sixth Li site, Li(6) is bonded to one O(4), one O(5), one O(6), one O(9), and two equivalent O(10) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  a cornercorner with one Cr(1)O5 trigonal bipyramid,  a cornercorner with one Cr(2)O5 trigonal bipyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra,  an edgeedge with one Cr(1)O5 trigonal bipyramid, and  an edgeedge with one Cr(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-22°. In the seventh Li site, Li(7) is bonded to one O(8), one O(9), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Cr(1)O5 trigonal bipyramid,  a cornercorner with one Cr(2)O5 trigonal bipyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with three equivalent Li(8)O6 octahedra, and edges with two equivalent Cr(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-25°. In the eighth Li site, Li(8) is bonded to one O(10), one O(3), one O(5), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  a cornercorner with one Cr(1)O5 trigonal bipyramid,  a cornercorner with one Cr(2)O5 trigonal bipyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Li(7)O6 octahedra,  an edgeedge with one Cr(1)O5 trigonal bipyramid, and  an edgeedge with one Cr(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 10-22°. In the ninth Li site, Li(9) is bonded to two equivalent O(10), two equivalent O(6), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Cr(1)O5 trigonal bipyramids, corners with four equivalent Cr(2)O5 trigonal bipyramids, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with four equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-25°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(9) atom to form distorted CrO5 trigonal bipyramids that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-74°. In the second Cr site, Cr(2) is bonded to one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form distorted CrO5 trigonal bipyramids that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(9)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 Li(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-73°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), two equivalent Li(3), and one Cr(1) atom to form distorted OLi5Cr octahedra that share  a cornercorner with one O(10)Li5Cr octahedra,  a cornercorner with one O(2)Li5Cr octahedra,  a cornercorner with one O(3)Li5Cr octahedra,  a cornercorner with one O(4)Li5Cr octahedra,  a cornercorner with one O(7)Li5Cr octahedra,  a cornercorner with one O(6)Li4Cr trigonal bipyramid,  a cornercorner with one O(9)Li4Cr trigonal bipyramid,  an edgeedge with one O(1)Li5Cr octahedra,  an edgeedge with one O(3)Li5Cr octahedra,  an edgeedge with one O(5)Li5Cr octahedra,  an edgeedge with one O(7)Li5Cr octahedra,  an edgeedge with one O(8)Li5Cr octahedra, edges with two equivalent O(2)Li5Cr octahedra, edges with three equivalent O(4)Li5Cr octahedra, and  an edgeedge with one O(6)Li4Cr trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-14°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Cr(2) atom to form OLi5Cr octahedra that share  a cornercorner with one O(1)Li5Cr octahedra,  a cornercorner with one O(2)Li5Cr octahedra,  a cornercorner with one O(5)Li5Cr octahedra,  a cornercorner with one O(8)Li5Cr octahedra,  a cornercorner with one O(6)Li4Cr trigonal bipyramid,  an edgeedge with one O(10)Li5Cr octahedra,  an edgeedge with one O(3)Li5Cr octahedra, edges with two equivalent O(1)Li5Cr octahedra, edges with two equivalent O(4)Li5Cr octahedra, edges with two equivalent O(8)Li5Cr octahedra, edges with three equivalent O(7)Li5Cr octahedra, and  an edgeedge with one O(6)Li4Cr trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(8), two equivalent Li(7), and one Cr(1) atom to form OLi5Cr octahedra that share  a cornercorner with one O(1)Li5Cr octahedra,  a cornercorner with one O(10)Li5Cr octahedra,  a cornercorner with one O(5)Li5Cr octahedra,  a cornercorner with one O(7)Li5Cr octahedra,  a cornercorner with one O(8)Li5Cr octahedra,  an edgeedge with one O(1)Li5Cr octahedra,  an edgeedge with one O(2)Li5Cr octahedra,  an edgeedge with one O(3)Li5Cr octahedra,  an edgeedge with one O(4)Li5Cr octahedra,  an edgeedge with one O(7)Li5Cr octahedra, edges with two equivalent O(8)Li5Cr octahedra, edges with three equivalent O(5)Li5Cr octahedra, and edges with two equivalent O(9)Li4Cr trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-16°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Li(6), two equivalent Li(3), and one Cr(1) atom to form distorted OLi5Cr octahedra that share  a cornercorner with one O(1)Li5Cr octahedra,  a cornercorner with one O(10)Li5Cr octahedra,  a cornercorner with one O(5)Li5Cr octahedra,  a cornercorner with one O(7)Li5Cr octahedra,  a cornercorner with one O(8)Li5Cr octahedra, corners with two equivalent O(6)Li4Cr trigonal bipyramids,  an edgeedge with one O(10)Li5Cr octahedra,  an edgeedge with one O(3)Li5Cr octahedra,  an edgeedge with one O(4)Li5Cr octahedra,  an edgeedge with one O(5)Li5Cr octahedra, edges with two equivalent O(2)Li5Cr octahedra, edges with three equivalent O(1)Li5Cr octahedra,  an edgeedge with one O(6)Li4Cr trigonal bipyramid, and  an edgeedge with one O(9)Li4Cr trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-23°. In the fifth O site, O(5) is bonded to one Li(2), one Li(6), one Li(8), two equivalent Li(7), and one Cr(1) atom to form OLi5Cr octahedra that share  a cornercorner with one O(10)Li5Cr octahedra,  a cornercorner with one O(2)Li5Cr octahedra,  a cornercorner with one O(3)Li5Cr octahedra,  a cornercorner with one O(4)Li5Cr octahedra,  a cornercorner with one O(7)Li5Cr octahedra,  a cornercorner with one O(6)Li4Cr trigonal bipyramid,  a cornercorner with one O(9)Li4Cr trigonal bipyramid,  an edgeedge with one O(1)Li5Cr octahedra,  an edgeedge with one O(10)Li5Cr octahedra,  an edgeedge with one O(4)Li5Cr octahedra,  an edgeedge with one O(5)Li5Cr octahedra, edges with two equivalent O(8)Li5Cr octahedra, edges with three equivalent O(3)Li5Cr octahedra, and edges with two equivalent O(9)Li4Cr trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-23°. In the sixth O site, O(6) is bonded to one Li(3), one Li(4), one Li(6), one Li(9), and one Cr(2) atom to form distorted OLi4Cr trigonal bipyramids that share  a cornercorner with one O(1)Li5Cr octahedra,  a cornercorner with one O(2)Li5Cr octahedra,  a cornercorner with one O(5)Li5Cr octahedra,  a cornercorner with one O(8)Li5Cr octahedra, corners with two equivalent O(4)Li5Cr octahedra,  a cornercorner with one O(6)Li4Cr trigonal bipyramid, corners with three equivalent O(9)Li4Cr trigonal bipyramids,  an edgeedge with one O(1)Li5Cr octahedra,  an edgeedge with one O(2)Li5Cr octahedra,  an edgeedge with one O(4)Li5Cr octahedra,  an edgeedge with one O(7)Li5Cr octahedra, and edges with three equivalent O(10)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 12-86°. In the seventh O site, O(7) is bonded to one Li(4), one Li(5), one Li(8), two equivalent Li(1), and one Cr(2) atom to form OLi5Cr octahedra that share  a cornercorner with one O(1)Li5Cr octahedra,  a cornercorner with one O(10)Li5Cr octahedra,  a cornercorner with one O(3)Li5Cr octahedra,  a cornercorner with one O(4)Li5Cr octahedra,  a cornercorner with one O(5)Li5Cr octahedra,  a cornercorner with one O(7)Li5Cr octahedra,  a cornercorner with one O(9)Li4Cr trigonal bipyramid,  an edgeedge with one O(1)Li5Cr octahedra,  an edgeedge with one O(10)Li5Cr octahedra,  an edgeedge with one O(3)Li5Cr octahedra,  an edgeedge with one O(7)Li5Cr octahedra, edges with three equivalent O(2)Li5Cr octahedra, edges with three equivalent O(8)Li5Cr octahedra, and  an edgeedge with one O(6)Li4Cr trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-25°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(5), one Li(7), one Li(8), and one Cr(2) atom to form OLi5Cr octahedra that share  a cornercorner with one O(2)Li5Cr octahedra,  a cornercorner with one O(3)Li5Cr octahedra,  a cornercorner with one O(4)Li5Cr octahedra,  a cornercorner with one O(8)Li5Cr octahedra,  a cornercorner with one O(6)Li4Cr trigonal bipyramid, corners with two equivalent O(9)Li4Cr trigonal bipyramids,  an edgeedge with one O(1)Li5Cr octahedra,  an edgeedge with one O(10)Li5Cr octahedra, edges with two equivalent O(2)Li5Cr octahedra, edges with two equivalent O(3)Li5Cr octahedra, edges with two equivalent O(5)Li5Cr octahedra, and edges with three equivalent O(7)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the ninth O site, O(9) is bonded to one Li(6), one Li(7), one Li(8), one Li(9), and one Cr(1) atom to form distorted OLi4Cr trigonal bipyramids that share  a cornercorner with one O(1)Li5Cr octahedra,  a cornercorner with one O(10)Li5Cr octahedra,  a cornercorner with one O(5)Li5Cr octahedra,  a cornercorner with one O(7)Li5Cr octahedra, corners with two equivalent O(8)Li5Cr octahedra,  a cornercorner with one O(9)Li4Cr trigonal bipyramid, corners with three equivalent O(6)Li4Cr trigonal bipyramids,  an edgeedge with one O(4)Li5Cr octahedra, edges with two equivalent O(10)Li5Cr octahedra, edges with two equivalent O(3)Li5Cr octahedra, and edges with two equivalent O(5)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 11-86°. In the tenth O site, O(10) is bonded to one Li(4), one Li(8), one Li(9), two equivalent Li(6), and one Cr(2) atom to form OLi5Cr octahedra that share  a cornercorner with one O(1)Li5Cr octahedra,  a cornercorner with one O(10)Li5Cr octahedra,  a cornercorner with one O(3)Li5Cr octahedra,  a cornercorner with one O(4)Li5Cr octahedra,  a cornercorner with one O(5)Li5Cr octahedra,  a cornercorner with one O(7)Li5Cr octahedra,  a cornercorner with one O(9)Li4Cr trigonal bipyramid,  an edgeedge with one O(10)Li5Cr octahedra,  an edgeedge with one O(2)Li5Cr octahedra,  an edgeedge with one O(4)Li5Cr octahedra,  an edgeedge with one O(5)Li5Cr octahedra,  an edgeedge with one O(7)Li5Cr octahedra,  an edgeedge with one O(8)Li5Cr octahedra, edges with two equivalent O(9)Li4Cr trigonal bipyramids, and edges with three equivalent O(6)Li4Cr trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-25°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4CrO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.010
_cell_length_b   8.869
_cell_length_c   8.916
_cell_angle_alpha   113.355
_cell_angle_beta   96.746
_cell_angle_gamma   96.451
_symmetry_Int_Tables_number   1
_cell_volume   355.657
_cell_formula_units_Z   4
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  0.516  0.104  0.915  1.0
  Li  Li1  1  0.977  0.200  0.802  1.0
  Li  Li2  1  0.746  0.048  0.462  1.0
  Li  Li3  1  0.284  0.157  0.357  1.0
  Li  Li4  1  0.000  0.000  0.000  1.0
  Li  Li5  1  0.003  0.396  0.595  1.0
  Li  Li6  1  0.215  0.550  0.935  1.0
  Li  Li7  1  0.742  0.643  0.840  1.0
  Li  Li8  1  0.500  0.500  0.500  1.0
  Li  Li9  1  0.258  0.357  0.160  1.0
  Li  Li10  1  0.785  0.450  0.065  1.0
  Li  Li11  1  0.997  0.604  0.405  1.0
  Li  Li12  1  0.716  0.843  0.643  1.0
  Li  Li13  1  0.254  0.952  0.538  1.0
  Li  Li14  1  0.023  0.800  0.198  1.0
  Li  Li15  1  0.484  0.896  0.085  1.0
  Cr  Cr16  1  0.477  0.299  0.739  1.0
  Cr  Cr17  1  0.787  0.214  0.247  1.0
  Cr  Cr18  1  0.213  0.786  0.753  1.0
  Cr  Cr19  1  0.523  0.701  0.261  1.0
  O  O20  1  0.609  0.103  0.681  1.0
  O  O21  1  0.895  0.031  0.223  1.0
  O  O22  1  0.368  0.320  0.918  1.0
  O  O23  1  0.178  0.181  0.585  1.0
  O  O24  1  0.830  0.405  0.818  1.0
  O  O25  1  0.660  0.272  0.436  1.0
  O  O26  1  0.436  0.143  0.141  1.0
  O  O27  1  0.870  0.229  0.057  1.0
  O  O28  1  0.398  0.479  0.715  1.0
  O  O29  1  0.086  0.364  0.357  1.0
  O  O30  1  0.914  0.636  0.643  1.0
  O  O31  1  0.602  0.521  0.285  1.0
  O  O32  1  0.130  0.771  0.943  1.0
  O  O33  1  0.564  0.857  0.859  1.0
  O  O34  1  0.340  0.728  0.564  1.0
  O  O35  1  0.170  0.595  0.182  1.0
  O  O36  1  0.822  0.819  0.415  1.0
  O  O37  1  0.632  0.680  0.082  1.0
  O  O38  1  0.105  0.969  0.777  1.0
  O  O39  1  0.391  0.897  0.319  1.0
[/CIF]
.