The compound described by Li3Cr5O8 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), two equivalent O(4), 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(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, edges with two equivalent Cr(5)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(3), 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(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(6)O6 octahedra, edges with two equivalent Cr(7)O6 octahedra, and edges with two equivalent Cr(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the third Li site, Li(3) 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 LiO6 octahedra that share corners with three equivalent Cr(4)O6 octahedra, corners with three equivalent Cr(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(7)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the fourth Li site, Li(4) 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 LiO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(8)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. There are eight inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with six equivalent Cr(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Cr(7)O6 octahedra, and edges with two equivalent Cr(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the second Cr site, Cr(2) is bonded to two equivalent O(2), two equivalent O(6), 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 Cr(3)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, edges with two equivalent Cr(5)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the third Cr site, Cr(3) 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 CrO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(7)O6 octahedra,  an edgeedge with one Cr(8)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the fourth Cr site, Cr(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Cr(5)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the fifth Cr site, Cr(5) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with six equivalent Cr(6)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(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 6-8°. In the sixth Cr site, Cr(6) 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 CrO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(7)O6 octahedra,  an edgeedge with one Cr(8)O6 octahedra, edges with two equivalent Li(3)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 6-8°. In the seventh Cr site, Cr(7) is bonded to two equivalent O(1), two equivalent O(5), 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(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Cr(6)O6 octahedra, and edges with two equivalent Cr(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the eighth Cr site, Cr(8) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)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, edges with two equivalent Cr(6)O6 octahedra, and edges with two equivalent Cr(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(4), one Cr(3), one Cr(7), and one Cr(8) 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)Li2Cr4 octahedra,  an edgeedge with one O(6)Li2Cr4 octahedra,  an edgeedge with one O(8)Li2Cr4 octahedra, edges with three equivalent O(3)Li2Cr4 octahedra, edges with three equivalent O(5)Li2Cr4 octahedra, and edges with three equivalent O(7)Li2Cr4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(4), 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(3)Li2Cr4 octahedra,  an edgeedge with one O(5)Li2Cr4 octahedra,  an edgeedge with one O(7)Li2Cr4 octahedra, edges with three equivalent O(4)Li2Cr4 octahedra, edges with three equivalent O(6)Li2Cr4 octahedra, and edges with three equivalent O(8)Li2Cr4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Cr(1), one Cr(3), one Cr(6), and one Cr(8) atom to form OLi2Cr4 octahedra that share corners with three equivalent O(3)Li2Cr4 octahedra, corners with three equivalent O(4)Li2Cr4 octahedra,  an edgeedge with one O(6)Li2Cr4 octahedra,  an edgeedge with one O(8)Li2Cr4 octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with three equivalent O(5)Li2Cr4 octahedra, edges with three equivalent O(7)Li2Cr4 octahedra, and edges with three equivalent O(1)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(3), one Cr(3), one Cr(4), one Cr(5), and one Cr(6) atom to form OLi2Cr4 octahedra that share corners with three equivalent O(3)Li2Cr4 octahedra, corners with three equivalent O(4)Li2Cr4 octahedra,  an edgeedge with one O(5)Li2Cr4 octahedra,  an edgeedge with one O(7)Li2Cr4 octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra, edges with three equivalent O(6)Li2Cr4 octahedra, edges with three equivalent O(8)Li2Cr4 octahedra, and edges with three equivalent O(2)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Cr(1), one Cr(6), one Cr(7), and one Cr(8) atom to form OLi2Cr4 octahedra that share corners with three equivalent O(5)Li2Cr4 octahedra, corners with three equivalent O(6)Li2Cr4 octahedra,  an edgeedge with one O(4)Li2Cr4 octahedra,  an edgeedge with one O(8)Li2Cr4 octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with three equivalent O(3)Li2Cr4 octahedra, edges with three equivalent O(7)Li2Cr4 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(3), one Li(4), one Cr(2), one Cr(4), one Cr(5), and one Cr(6) atom to form OLi2Cr4 octahedra that share corners with three equivalent O(5)Li2Cr4 octahedra, corners with three equivalent O(6)Li2Cr4 octahedra,  an edgeedge with one O(3)Li2Cr4 octahedra,  an edgeedge with one O(7)Li2Cr4 octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra, edges with three equivalent O(4)Li2Cr4 octahedra, edges with three equivalent O(8)Li2Cr4 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(2), one Li(4), one Cr(1), one Cr(3), one Cr(6), and one Cr(7) atom to form OLi2Cr4 octahedra that share corners with three equivalent O(7)Li2Cr4 octahedra, corners with three equivalent O(8)Li2Cr4 octahedra,  an edgeedge with one O(4)Li2Cr4 octahedra,  an edgeedge with one O(6)Li2Cr4 octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with three equivalent O(3)Li2Cr4 octahedra, edges with three equivalent O(5)Li2Cr4 octahedra, and edges with three equivalent O(1)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth O site, O(8) is bonded to one Li(1), one Li(4), one Cr(2), one Cr(3), one Cr(5), and one Cr(6) atom to form OLi2Cr4 octahedra that share corners with three equivalent O(7)Li2Cr4 octahedra, corners with three equivalent O(8)Li2Cr4 octahedra,  an edgeedge with one O(3)Li2Cr4 octahedra,  an edgeedge with one O(5)Li2Cr4 octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra, edges with three equivalent O(4)Li2Cr4 octahedra, edges with three equivalent O(6)Li2Cr4 octahedra, and edges with three equivalent O(2)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF card [CIF]
data_Li3Cr5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.998
_cell_length_b   6.060
_cell_length_c   6.074
_cell_angle_alpha   60.307
_cell_angle_beta   60.517
_cell_angle_gamma   89.962
_symmetry_Int_Tables_number   1
_cell_volume   158.089
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.500  0.500  1.000  1.0
  Cr  Cr1  1  0.500  0.000  0.500  1.0
  Cr  Cr2  1  1.000  1.000  0.500  1.0
  Cr  Cr3  1  0.500  1.000  0.000  1.0
  Cr  Cr4  1  0.000  0.000  1.000  1.0
  Li  Li5  1  0.500  0.500  0.500  1.0
  Li  Li6  1  1.000  0.500  0.000  1.0
  Li  Li7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.262  0.780  0.476  1.0
  O  O9  1  0.738  0.220  0.524  1.0
  O  O10  1  0.761  0.780  0.973  1.0
  O  O11  1  0.266  0.783  0.972  1.0
  O  O12  1  0.734  0.754  0.532  1.0
  O  O13  1  0.266  0.246  0.467  1.0
  O  O14  1  0.734  0.217  0.028  1.0
  O  O15  1  0.239  0.220  0.027  1.0
[/CIF]
.
The compound described by Li3Cr5O8 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), two equivalent O(4), 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(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, edges with two equivalent Cr(5)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(3), 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(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(6)O6 octahedra, edges with two equivalent Cr(7)O6 octahedra, and edges with two equivalent Cr(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the third Li site, Li(3) 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 LiO6 octahedra that share corners with three equivalent Cr(4)O6 octahedra, corners with three equivalent Cr(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(7)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the fourth Li site, Li(4) 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 LiO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(8)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. There are eight inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with six equivalent Cr(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Cr(7)O6 octahedra, and edges with two equivalent Cr(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the second Cr site, Cr(2) is bonded to two equivalent O(2), two equivalent O(6), 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 Cr(3)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, edges with two equivalent Cr(5)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the third Cr site, Cr(3) 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 CrO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(7)O6 octahedra,  an edgeedge with one Cr(8)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the fourth Cr site, Cr(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Cr(5)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the fifth Cr site, Cr(5) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with six equivalent Cr(6)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(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 6-8°. In the sixth Cr site, Cr(6) 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 CrO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(7)O6 octahedra,  an edgeedge with one Cr(8)O6 octahedra, edges with two equivalent Li(3)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 6-8°. In the seventh Cr site, Cr(7) is bonded to two equivalent O(1), two equivalent O(5), 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(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Cr(6)O6 octahedra, and edges with two equivalent Cr(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the eighth Cr site, Cr(8) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)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, edges with two equivalent Cr(6)O6 octahedra, and edges with two equivalent Cr(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(4), one Cr(3), one Cr(7), and one Cr(8) 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)Li2Cr4 octahedra,  an edgeedge with one O(6)Li2Cr4 octahedra,  an edgeedge with one O(8)Li2Cr4 octahedra, edges with three equivalent O(3)Li2Cr4 octahedra, edges with three equivalent O(5)Li2Cr4 octahedra, and edges with three equivalent O(7)Li2Cr4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(4), 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(3)Li2Cr4 octahedra,  an edgeedge with one O(5)Li2Cr4 octahedra,  an edgeedge with one O(7)Li2Cr4 octahedra, edges with three equivalent O(4)Li2Cr4 octahedra, edges with three equivalent O(6)Li2Cr4 octahedra, and edges with three equivalent O(8)Li2Cr4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Cr(1), one Cr(3), one Cr(6), and one Cr(8) atom to form OLi2Cr4 octahedra that share corners with three equivalent O(3)Li2Cr4 octahedra, corners with three equivalent O(4)Li2Cr4 octahedra,  an edgeedge with one O(6)Li2Cr4 octahedra,  an edgeedge with one O(8)Li2Cr4 octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with three equivalent O(5)Li2Cr4 octahedra, edges with three equivalent O(7)Li2Cr4 octahedra, and edges with three equivalent O(1)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(3), one Cr(3), one Cr(4), one Cr(5), and one Cr(6) atom to form OLi2Cr4 octahedra that share corners with three equivalent O(3)Li2Cr4 octahedra, corners with three equivalent O(4)Li2Cr4 octahedra,  an edgeedge with one O(5)Li2Cr4 octahedra,  an edgeedge with one O(7)Li2Cr4 octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra, edges with three equivalent O(6)Li2Cr4 octahedra, edges with three equivalent O(8)Li2Cr4 octahedra, and edges with three equivalent O(2)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Cr(1), one Cr(6), one Cr(7), and one Cr(8) atom to form OLi2Cr4 octahedra that share corners with three equivalent O(5)Li2Cr4 octahedra, corners with three equivalent O(6)Li2Cr4 octahedra,  an edgeedge with one O(4)Li2Cr4 octahedra,  an edgeedge with one O(8)Li2Cr4 octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with three equivalent O(3)Li2Cr4 octahedra, edges with three equivalent O(7)Li2Cr4 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(3), one Li(4), one Cr(2), one Cr(4), one Cr(5), and one Cr(6) atom to form OLi2Cr4 octahedra that share corners with three equivalent O(5)Li2Cr4 octahedra, corners with three equivalent O(6)Li2Cr4 octahedra,  an edgeedge with one O(3)Li2Cr4 octahedra,  an edgeedge with one O(7)Li2Cr4 octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra, edges with three equivalent O(4)Li2Cr4 octahedra, edges with three equivalent O(8)Li2Cr4 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(2), one Li(4), one Cr(1), one Cr(3), one Cr(6), and one Cr(7) atom to form OLi2Cr4 octahedra that share corners with three equivalent O(7)Li2Cr4 octahedra, corners with three equivalent O(8)Li2Cr4 octahedra,  an edgeedge with one O(4)Li2Cr4 octahedra,  an edgeedge with one O(6)Li2Cr4 octahedra,  an edgeedge with one O(2)Li3Cr3 octahedra, edges with three equivalent O(3)Li2Cr4 octahedra, edges with three equivalent O(5)Li2Cr4 octahedra, and edges with three equivalent O(1)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth O site, O(8) is bonded to one Li(1), one Li(4), one Cr(2), one Cr(3), one Cr(5), and one Cr(6) atom to form OLi2Cr4 octahedra that share corners with three equivalent O(7)Li2Cr4 octahedra, corners with three equivalent O(8)Li2Cr4 octahedra,  an edgeedge with one O(3)Li2Cr4 octahedra,  an edgeedge with one O(5)Li2Cr4 octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra, edges with three equivalent O(4)Li2Cr4 octahedra, edges with three equivalent O(6)Li2Cr4 octahedra, and edges with three equivalent O(2)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF card [CIF]
data_Li3Cr5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.998
_cell_length_b   6.060
_cell_length_c   6.074
_cell_angle_alpha   60.307
_cell_angle_beta   60.517
_cell_angle_gamma   89.962
_symmetry_Int_Tables_number   1
_cell_volume   158.089
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.500  0.500  1.000  1.0
  Cr  Cr1  1  0.500  0.000  0.500  1.0
  Cr  Cr2  1  1.000  1.000  0.500  1.0
  Cr  Cr3  1  0.500  1.000  0.000  1.0
  Cr  Cr4  1  0.000  0.000  1.000  1.0
  Li  Li5  1  0.500  0.500  0.500  1.0
  Li  Li6  1  1.000  0.500  0.000  1.0
  Li  Li7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.262  0.780  0.476  1.0
  O  O9  1  0.738  0.220  0.524  1.0
  O  O10  1  0.761  0.780  0.973  1.0
  O  O11  1  0.266  0.783  0.972  1.0
  O  O12  1  0.734  0.754  0.532  1.0
  O  O13  1  0.266  0.246  0.467  1.0
  O  O14  1  0.734  0.217  0.028  1.0
  O  O15  1  0.239  0.220  0.027  1.0
[/CIF]
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