The material described by Li6CrO6 crystallizes in the monoclinic Cc space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 trigonal pyramid,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Cr(1)O4 tetrahedra, and  an edgeedge with one Li(6)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with three equivalent Li(6)O4 trigonal pyramids,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(5)O4 tetrahedra, corners with three equivalent Cr(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 trigonal pyramid. In the fifth Li site, Li(5) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Cr(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 trigonal pyramid. In the sixth Li site, Li(6) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. Cr(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form CrO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(6)O4 trigonal pyramids, and  an edgeedge with one Li(2)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), and one Li(6) atom to form a mixture of edge and corner-sharing OLi5 trigonal bipyramids. In the second O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(6), and one Cr(1) atom. In the third O site, O(6) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Li(6), and one Cr(1) atom. In the fourth O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(5), and one Cr(1) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Li(5), and one Cr(1) atom. In the sixth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and one Li(6) atom to form a mixture of edge and corner-sharing OLi5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Li6CrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.659
_cell_length_b   5.659
_cell_length_c   10.903
_cell_angle_alpha   89.091
_cell_angle_beta   89.091
_cell_angle_gamma   59.490
_symmetry_Int_Tables_number   1
_cell_volume   300.785
_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  0.385  0.974  0.266  1.0
  Li  Li1  1  0.385  0.998  0.852  1.0
  Li  Li2  1  0.974  0.385  0.766  1.0
  Li  Li3  1  0.707  0.997  0.742  1.0
  Li  Li4  1  0.998  0.385  0.352  1.0
  Li  Li5  1  0.329  0.326  0.590  1.0
  Li  Li6  1  0.683  0.645  0.090  1.0
  Li  Li7  1  0.326  0.329  0.090  1.0
  Li  Li8  1  0.645  0.683  0.590  1.0
  Li  Li9  1  0.609  0.362  0.269  1.0
  Li  Li10  1  0.997  0.707  0.242  1.0
  Li  Li11  1  0.362  0.609  0.769  1.0
  Cr  Cr12  1  0.001  0.000  0.498  1.0
  Cr  Cr13  1  0.000  0.001  0.998  1.0
  O  O14  1  0.289  0.997  0.042  1.0
  O  O15  1  0.997  0.289  0.542  1.0
  O  O16  1  0.720  0.003  0.551  1.0
  O  O17  1  0.338  0.301  0.762  1.0
  O  O18  1  0.696  0.640  0.262  1.0
  O  O19  1  0.010  0.004  0.845  1.0
  O  O20  1  0.004  0.010  0.345  1.0
  O  O21  1  0.301  0.338  0.262  1.0
  O  O22  1  0.640  0.696  0.762  1.0
  O  O23  1  0.719  0.277  0.052  1.0
  O  O24  1  0.003  0.720  0.051  1.0
  O  O25  1  0.277  0.719  0.552  1.0
[/CIF]
.
The material described by Li6CrO6 crystallizes in the monoclinic Cc space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 trigonal pyramid,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Cr(1)O4 tetrahedra, and  an edgeedge with one Li(6)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with three equivalent Li(6)O4 trigonal pyramids,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(5)O4 tetrahedra, corners with three equivalent Cr(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 trigonal pyramid. In the fifth Li site, Li(5) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Cr(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 trigonal pyramid. In the sixth Li site, Li(6) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. Cr(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form CrO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(6)O4 trigonal pyramids, and  an edgeedge with one Li(2)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), and one Li(6) atom to form a mixture of edge and corner-sharing OLi5 trigonal bipyramids. In the second O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(6), and one Cr(1) atom. In the third O site, O(6) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Li(6), and one Cr(1) atom. In the fourth O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(5), and one Cr(1) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Li(5), and one Cr(1) atom. In the sixth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and one Li(6) atom to form a mixture of edge and corner-sharing OLi5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Li6CrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.659
_cell_length_b   5.659
_cell_length_c   10.903
_cell_angle_alpha   89.091
_cell_angle_beta   89.091
_cell_angle_gamma   59.490
_symmetry_Int_Tables_number   1
_cell_volume   300.785
_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  0.385  0.974  0.266  1.0
  Li  Li1  1  0.385  0.998  0.852  1.0
  Li  Li2  1  0.974  0.385  0.766  1.0
  Li  Li3  1  0.707  0.997  0.742  1.0
  Li  Li4  1  0.998  0.385  0.352  1.0
  Li  Li5  1  0.329  0.326  0.590  1.0
  Li  Li6  1  0.683  0.645  0.090  1.0
  Li  Li7  1  0.326  0.329  0.090  1.0
  Li  Li8  1  0.645  0.683  0.590  1.0
  Li  Li9  1  0.609  0.362  0.269  1.0
  Li  Li10  1  0.997  0.707  0.242  1.0
  Li  Li11  1  0.362  0.609  0.769  1.0
  Cr  Cr12  1  0.001  0.000  0.498  1.0
  Cr  Cr13  1  0.000  0.001  0.998  1.0
  O  O14  1  0.289  0.997  0.042  1.0
  O  O15  1  0.997  0.289  0.542  1.0
  O  O16  1  0.720  0.003  0.551  1.0
  O  O17  1  0.338  0.301  0.762  1.0
  O  O18  1  0.696  0.640  0.262  1.0
  O  O19  1  0.010  0.004  0.845  1.0
  O  O20  1  0.004  0.010  0.345  1.0
  O  O21  1  0.301  0.338  0.262  1.0
  O  O22  1  0.640  0.696  0.762  1.0
  O  O23  1  0.719  0.277  0.052  1.0
  O  O24  1  0.003  0.720  0.051  1.0
  O  O25  1  0.277  0.719  0.552  1.0
[/CIF]
.