The material structure described by Li6Cr2O7 crystallizes in the monoclinic P2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted LiO5 square pyramids that share corners with three equivalent Cr(1)O4 tetrahedra, edges with two equivalent Li(2)O5 square pyramids, and  an edgeedge with one Cr(1)O4 tetrahedra. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), and two equivalent O(3) atoms. Cr(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CrO4 tetrahedra that share corners with three equivalent Li(2)O5 square pyramids,  a cornercorner with one Cr(1)O4 tetrahedra, and  an edgeedge with one Li(2)O5 square pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), two equivalent Li(2), and one Cr(1) atom to form distorted OLi4Cr square pyramids that share  a cornercorner with one O(2)Li4Cr square pyramid, corners with two equivalent O(4)Li2Cr2 tetrahedra,  an edgeedge with one O(1)Li4Cr square pyramid, and edges with three equivalent O(2)Li4Cr square pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Li(2), and one Cr(1) atom to form distorted OLi4Cr square pyramids that share  a cornercorner with one O(1)Li4Cr square pyramid,  a cornercorner with one O(4)Li2Cr2 tetrahedra, edges with two equivalent O(2)Li4Cr square pyramids, and edges with three equivalent O(1)Li4Cr square pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), two equivalent Li(3), and one Cr(1) atom. In the fourth O site, O(4) is bonded to two equivalent Li(3) and two equivalent Cr(1) atoms to form distorted corner-sharing OLi2Cr2 tetrahedra. is represented by the CIF file [CIF]
data_Li6Cr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.059
_cell_length_b   7.870
_cell_length_c   9.104
_cell_angle_alpha   64.135
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   326.155
_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  0.201  0.336  0.883  1.0
  Li  Li1  1  0.810  0.581  0.856  1.0
  Li  Li2  1  0.809  0.070  0.834  1.0
  Li  Li3  1  0.810  0.419  0.644  1.0
  Li  Li4  1  0.201  0.664  0.617  1.0
  Li  Li5  1  0.809  0.930  0.666  1.0
  Li  Li6  1  0.191  0.070  0.334  1.0
  Li  Li7  1  0.799  0.336  0.383  1.0
  Li  Li8  1  0.190  0.581  0.356  1.0
  Li  Li9  1  0.191  0.930  0.166  1.0
  Li  Li10  1  0.190  0.419  0.144  1.0
  Li  Li11  1  0.799  0.664  0.117  1.0
  Cr  Cr12  1  0.313  0.781  0.904  1.0
  Cr  Cr13  1  0.313  0.219  0.596  1.0
  Cr  Cr14  1  0.687  0.781  0.404  1.0
  Cr  Cr15  1  0.687  0.219  0.096  1.0
  O  O16  1  0.803  0.280  0.894  1.0
  O  O17  1  0.214  0.595  0.857  1.0
  O  O18  1  0.666  0.811  0.894  1.0
  O  O19  1  0.214  0.405  0.643  1.0
  O  O20  1  0.152  0.000  0.750  1.0
  O  O21  1  0.803  0.720  0.606  1.0
  O  O22  1  0.666  0.189  0.606  1.0
  O  O23  1  0.334  0.811  0.394  1.0
  O  O24  1  0.197  0.280  0.394  1.0
  O  O25  1  0.848  0.000  0.250  1.0
  O  O26  1  0.786  0.595  0.357  1.0
  O  O27  1  0.334  0.189  0.106  1.0
  O  O28  1  0.786  0.405  0.143  1.0
  O  O29  1  0.197  0.720  0.106  1.0
[/CIF]
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The material structure described by Li6Cr2O7 crystallizes in the monoclinic P2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted LiO5 square pyramids that share corners with three equivalent Cr(1)O4 tetrahedra, edges with two equivalent Li(2)O5 square pyramids, and  an edgeedge with one Cr(1)O4 tetrahedra. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), and two equivalent O(3) atoms. Cr(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CrO4 tetrahedra that share corners with three equivalent Li(2)O5 square pyramids,  a cornercorner with one Cr(1)O4 tetrahedra, and  an edgeedge with one Li(2)O5 square pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), two equivalent Li(2), and one Cr(1) atom to form distorted OLi4Cr square pyramids that share  a cornercorner with one O(2)Li4Cr square pyramid, corners with two equivalent O(4)Li2Cr2 tetrahedra,  an edgeedge with one O(1)Li4Cr square pyramid, and edges with three equivalent O(2)Li4Cr square pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Li(2), and one Cr(1) atom to form distorted OLi4Cr square pyramids that share  a cornercorner with one O(1)Li4Cr square pyramid,  a cornercorner with one O(4)Li2Cr2 tetrahedra, edges with two equivalent O(2)Li4Cr square pyramids, and edges with three equivalent O(1)Li4Cr square pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), two equivalent Li(3), and one Cr(1) atom. In the fourth O site, O(4) is bonded to two equivalent Li(3) and two equivalent Cr(1) atoms to form distorted corner-sharing OLi2Cr2 tetrahedra. is represented by the CIF file [CIF]
data_Li6Cr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.059
_cell_length_b   7.870
_cell_length_c   9.104
_cell_angle_alpha   64.135
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   326.155
_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  0.201  0.336  0.883  1.0
  Li  Li1  1  0.810  0.581  0.856  1.0
  Li  Li2  1  0.809  0.070  0.834  1.0
  Li  Li3  1  0.810  0.419  0.644  1.0
  Li  Li4  1  0.201  0.664  0.617  1.0
  Li  Li5  1  0.809  0.930  0.666  1.0
  Li  Li6  1  0.191  0.070  0.334  1.0
  Li  Li7  1  0.799  0.336  0.383  1.0
  Li  Li8  1  0.190  0.581  0.356  1.0
  Li  Li9  1  0.191  0.930  0.166  1.0
  Li  Li10  1  0.190  0.419  0.144  1.0
  Li  Li11  1  0.799  0.664  0.117  1.0
  Cr  Cr12  1  0.313  0.781  0.904  1.0
  Cr  Cr13  1  0.313  0.219  0.596  1.0
  Cr  Cr14  1  0.687  0.781  0.404  1.0
  Cr  Cr15  1  0.687  0.219  0.096  1.0
  O  O16  1  0.803  0.280  0.894  1.0
  O  O17  1  0.214  0.595  0.857  1.0
  O  O18  1  0.666  0.811  0.894  1.0
  O  O19  1  0.214  0.405  0.643  1.0
  O  O20  1  0.152  0.000  0.750  1.0
  O  O21  1  0.803  0.720  0.606  1.0
  O  O22  1  0.666  0.189  0.606  1.0
  O  O23  1  0.334  0.811  0.394  1.0
  O  O24  1  0.197  0.280  0.394  1.0
  O  O25  1  0.848  0.000  0.250  1.0
  O  O26  1  0.786  0.595  0.357  1.0
  O  O27  1  0.334  0.189  0.106  1.0
  O  O28  1  0.786  0.405  0.143  1.0
  O  O29  1  0.197  0.720  0.106  1.0
[/CIF]
.