The compound described by Li3Cr5O10 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with three equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the second Li site, Li(2) 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 two equivalent Cr(3)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Li(1)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 8-14°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form CrO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with three equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. In the third Cr site, Cr(3) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Cr(2), and two equivalent Cr(1) atoms to form a mixture of corner and edge-sharing OLi2Cr3 square pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(1), and two equivalent Cr(3) atoms to form a mixture of corner and edge-sharing OLi2Cr3 square pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Cr(1), one Cr(2), and one Cr(3) atom to form a mixture of corner and edge-sharing OLi2Cr3 square pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Cr(2), and one Cr(3) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Cr(1), and two equivalent Cr(3) atoms to form a mixture of corner and edge-sharing OLi2Cr3 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Cr5O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.130
_cell_length_b   5.970
_cell_length_c   6.641
_cell_angle_alpha   103.589
_cell_angle_beta   97.601
_cell_angle_gamma   106.681
_symmetry_Int_Tables_number   1
_cell_volume   184.964
_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
  Li  Li0  1  0.203  0.901  0.902  1.0
  Li  Li1  1  0.797  0.099  0.098  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Cr  Cr3  1  0.399  0.796  0.306  1.0
  Cr  Cr4  1  0.000  0.000  0.500  1.0
  Cr  Cr5  1  0.203  0.401  0.904  1.0
  Cr  Cr6  1  0.601  0.204  0.694  1.0
  Cr  Cr7  1  0.797  0.599  0.096  1.0
  O  O8  1  0.290  0.873  0.588  1.0
  O  O9  1  0.492  0.730  0.021  1.0
  O  O10  1  0.089  0.923  0.211  1.0
  O  O11  1  0.279  0.317  0.616  1.0
  O  O12  1  0.710  0.127  0.412  1.0
  O  O13  1  0.508  0.270  0.979  1.0
  O  O14  1  0.911  0.077  0.789  1.0
  O  O15  1  0.095  0.471  0.186  1.0
  O  O16  1  0.721  0.683  0.384  1.0
  O  O17  1  0.905  0.529  0.814  1.0
[/CIF]
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The compound described by Li3Cr5O10 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with three equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the second Li site, Li(2) 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 two equivalent Cr(3)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Li(1)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 8-14°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form CrO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with three equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. In the third Cr site, Cr(3) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Cr(2), and two equivalent Cr(1) atoms to form a mixture of corner and edge-sharing OLi2Cr3 square pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(1), and two equivalent Cr(3) atoms to form a mixture of corner and edge-sharing OLi2Cr3 square pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Cr(1), one Cr(2), and one Cr(3) atom to form a mixture of corner and edge-sharing OLi2Cr3 square pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Cr(2), and one Cr(3) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Cr(1), and two equivalent Cr(3) atoms to form a mixture of corner and edge-sharing OLi2Cr3 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Cr5O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.130
_cell_length_b   5.970
_cell_length_c   6.641
_cell_angle_alpha   103.589
_cell_angle_beta   97.601
_cell_angle_gamma   106.681
_symmetry_Int_Tables_number   1
_cell_volume   184.964
_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
  Li  Li0  1  0.203  0.901  0.902  1.0
  Li  Li1  1  0.797  0.099  0.098  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Cr  Cr3  1  0.399  0.796  0.306  1.0
  Cr  Cr4  1  0.000  0.000  0.500  1.0
  Cr  Cr5  1  0.203  0.401  0.904  1.0
  Cr  Cr6  1  0.601  0.204  0.694  1.0
  Cr  Cr7  1  0.797  0.599  0.096  1.0
  O  O8  1  0.290  0.873  0.588  1.0
  O  O9  1  0.492  0.730  0.021  1.0
  O  O10  1  0.089  0.923  0.211  1.0
  O  O11  1  0.279  0.317  0.616  1.0
  O  O12  1  0.710  0.127  0.412  1.0
  O  O13  1  0.508  0.270  0.979  1.0
  O  O14  1  0.911  0.077  0.789  1.0
  O  O15  1  0.095  0.471  0.186  1.0
  O  O16  1  0.721  0.683  0.384  1.0
  O  O17  1  0.905  0.529  0.814  1.0
[/CIF]
.