The material structure described by Li9Cr5O12 crystallizes in the monoclinic C2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-64°. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. In the fourth Li site, Li(4) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, edges with six equivalent Cr(3)O6 octahedra, and edges with two equivalent Li(2)O4 tetrahedra. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, edges with three equivalent Cr(1)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra and edges with six equivalent Cr(1)O6 octahedra. In the third Cr site, Cr(3) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, edges with three equivalent Li(4)O6 octahedra, edges with three equivalent Cr(3)O6 octahedra, and edges with two equivalent Li(2)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), and two equivalent Cr(3) atoms to form distorted OLi3Cr2 trigonal bipyramids that share corners with two equivalent O(3)Li3Cr3 octahedra,  a cornercorner with one O(4)Li3Cr2 trigonal bipyramid, and  an edgeedge with one O(4)Li3Cr2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 68°. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Li(2), one Cr(2), and two equivalent Cr(1) atoms. In the third O site, O(2) is bonded in a 6-coordinate geometry to one Li(2), one Li(4), two equivalent Li(3), and two equivalent Cr(3) atoms. In the fourth O site, O(3) is bonded to one Li(1), two equivalent Li(3), one Cr(2), and two equivalent Cr(1) atoms to form OLi3Cr3 octahedra that share corners with two equivalent O(3)Li3Cr3 octahedra,  a cornercorner with one O(4)Li3Cr2 trigonal bipyramid, and edges with five equivalent O(3)Li3Cr3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Li9Cr5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.241
_cell_length_b   5.241
_cell_length_c   10.055
_cell_angle_alpha   93.042
_cell_angle_beta   86.959
_cell_angle_gamma   59.342
_symmetry_Int_Tables_number   1
_cell_volume   236.241
_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  0.802  0.198  0.255  1.0
  Li  Li1  1  0.740  0.260  0.805  1.0
  Li  Li2  1  0.353  0.192  0.752  1.0
  Li  Li3  1  0.808  0.647  0.752  1.0
  Li  Li4  1  0.000  1.000  1.000  1.0
  Li  Li5  1  0.192  0.353  0.248  1.0
  Li  Li6  1  0.647  0.808  0.248  1.0
  Li  Li7  1  0.260  0.740  0.195  1.0
  Li  Li8  1  0.199  0.801  0.745  1.0
  Cr  Cr9  1  0.165  0.165  0.500  1.0
  Cr  Cr10  1  0.500  0.500  0.500  1.0
  Cr  Cr11  1  0.835  0.835  0.500  1.0
  Cr  Cr12  1  0.332  0.332  0.000  1.0
  Cr  Cr13  1  0.668  0.668  0.000  1.0
  O  O14  1  0.815  0.186  0.606  1.0
  O  O15  1  0.328  0.021  0.119  1.0
  O  O16  1  0.979  0.672  0.119  1.0
  O  O17  1  0.854  0.477  0.392  1.0
  O  O18  1  0.523  0.146  0.392  1.0
  O  O19  1  0.608  0.392  0.115  1.0
  O  O20  1  0.392  0.608  0.885  1.0
  O  O21  1  0.477  0.854  0.608  1.0
  O  O22  1  0.146  0.523  0.608  1.0
  O  O23  1  0.021  0.328  0.881  1.0
  O  O24  1  0.672  0.979  0.881  1.0
  O  O25  1  0.185  0.815  0.394  1.0
[/CIF]
.
The material structure described by Li9Cr5O12 crystallizes in the monoclinic C2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-64°. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. In the fourth Li site, Li(4) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, edges with six equivalent Cr(3)O6 octahedra, and edges with two equivalent Li(2)O4 tetrahedra. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, edges with three equivalent Cr(1)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra and edges with six equivalent Cr(1)O6 octahedra. In the third Cr site, Cr(3) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, edges with three equivalent Li(4)O6 octahedra, edges with three equivalent Cr(3)O6 octahedra, and edges with two equivalent Li(2)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), and two equivalent Cr(3) atoms to form distorted OLi3Cr2 trigonal bipyramids that share corners with two equivalent O(3)Li3Cr3 octahedra,  a cornercorner with one O(4)Li3Cr2 trigonal bipyramid, and  an edgeedge with one O(4)Li3Cr2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 68°. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Li(2), one Cr(2), and two equivalent Cr(1) atoms. In the third O site, O(2) is bonded in a 6-coordinate geometry to one Li(2), one Li(4), two equivalent Li(3), and two equivalent Cr(3) atoms. In the fourth O site, O(3) is bonded to one Li(1), two equivalent Li(3), one Cr(2), and two equivalent Cr(1) atoms to form OLi3Cr3 octahedra that share corners with two equivalent O(3)Li3Cr3 octahedra,  a cornercorner with one O(4)Li3Cr2 trigonal bipyramid, and edges with five equivalent O(3)Li3Cr3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Li9Cr5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.241
_cell_length_b   5.241
_cell_length_c   10.055
_cell_angle_alpha   93.042
_cell_angle_beta   86.959
_cell_angle_gamma   59.342
_symmetry_Int_Tables_number   1
_cell_volume   236.241
_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  0.802  0.198  0.255  1.0
  Li  Li1  1  0.740  0.260  0.805  1.0
  Li  Li2  1  0.353  0.192  0.752  1.0
  Li  Li3  1  0.808  0.647  0.752  1.0
  Li  Li4  1  0.000  1.000  1.000  1.0
  Li  Li5  1  0.192  0.353  0.248  1.0
  Li  Li6  1  0.647  0.808  0.248  1.0
  Li  Li7  1  0.260  0.740  0.195  1.0
  Li  Li8  1  0.199  0.801  0.745  1.0
  Cr  Cr9  1  0.165  0.165  0.500  1.0
  Cr  Cr10  1  0.500  0.500  0.500  1.0
  Cr  Cr11  1  0.835  0.835  0.500  1.0
  Cr  Cr12  1  0.332  0.332  0.000  1.0
  Cr  Cr13  1  0.668  0.668  0.000  1.0
  O  O14  1  0.815  0.186  0.606  1.0
  O  O15  1  0.328  0.021  0.119  1.0
  O  O16  1  0.979  0.672  0.119  1.0
  O  O17  1  0.854  0.477  0.392  1.0
  O  O18  1  0.523  0.146  0.392  1.0
  O  O19  1  0.608  0.392  0.115  1.0
  O  O20  1  0.392  0.608  0.885  1.0
  O  O21  1  0.477  0.854  0.608  1.0
  O  O22  1  0.146  0.523  0.608  1.0
  O  O23  1  0.021  0.328  0.881  1.0
  O  O24  1  0.672  0.979  0.881  1.0
  O  O25  1  0.185  0.815  0.394  1.0
[/CIF]
.