The structure described by Li2Cr2O7 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a see-saw-like geometry to one O(2), one O(3), one O(4), and one O(6) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(3), one O(6), and one O(8) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(12), one O(4), and one O(9) atom. In the fourth Li site, Li(4) is bonded to one O(10), one O(14), one O(7), and two equivalent O(12) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Cr(2)O4 tetrahedra,  a cornercorner with one Cr(3)O4 tetrahedra, corners with three equivalent Cr(4)O4 tetrahedra, and  an edgeedge with one Li(4)O5 square pyramid. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form corner-sharing CrO4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form CrO4 tetrahedra that share  a cornercorner with one Li(4)O5 square pyramid and  a cornercorner with one Cr(1)O4 tetrahedra. In the third Cr site, Cr(3) is bonded to one O(13), one O(14), one O(8), and one O(9) atom to form CrO4 tetrahedra that share  a cornercorner with one Li(4)O5 square pyramid and  a cornercorner with one Cr(4)O4 tetrahedra. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(11), one O(12), and one O(13) atom to form CrO4 tetrahedra that share corners with three equivalent Li(4)O5 square pyramids and  a cornercorner with one Cr(3)O4 tetrahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(3), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Li(4) and one Cr(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(2) and one Cr(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Li(3) and one Cr(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Li(4) and one Cr(4) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Cr(4) atom. In the twelfth O site, O(12) is bonded to one Li(3), two equivalent Li(4), and one Cr(4) atom to form distorted edge-sharing OLi3Cr tetrahedra. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Cr(3) and one Cr(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Li(4) and one Cr(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Cr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.476
_cell_length_b   7.086
_cell_length_c   12.633
_cell_angle_alpha   94.814
_cell_angle_beta   96.589
_cell_angle_gamma   90.916
_symmetry_Int_Tables_number   1
_cell_volume   573.628
_cell_formula_units_Z   4
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  0.653  0.149  0.891  1.0
  Li  Li1  1  0.068  0.861  0.847  1.0
  Li  Li2  1  0.301  0.251  0.650  1.0
  Li  Li3  1  0.645  0.606  0.607  1.0
  Li  Li4  1  0.355  0.394  0.393  1.0
  Li  Li5  1  0.699  0.749  0.350  1.0
  Li  Li6  1  0.932  0.139  0.153  1.0
  Li  Li7  1  0.347  0.851  0.109  1.0
  Cr  Cr8  1  0.149  0.319  0.905  1.0
  Cr  Cr9  1  0.565  0.702  0.879  1.0
  Cr  Cr10  1  0.777  0.078  0.617  1.0
  Cr  Cr11  1  0.173  0.691  0.590  1.0
  Cr  Cr12  1  0.827  0.309  0.410  1.0
  Cr  Cr13  1  0.223  0.922  0.383  1.0
  Cr  Cr14  1  0.435  0.298  0.121  1.0
  Cr  Cr15  1  0.851  0.681  0.095  1.0
  O  O16  1  0.706  0.571  0.976  1.0
  O  O17  1  0.964  0.181  0.939  1.0
  O  O18  1  0.364  0.802  0.928  1.0
  O  O19  1  0.314  0.194  0.838  1.0
  O  O20  1  0.050  0.487  0.839  1.0
  O  O21  1  0.723  0.869  0.848  1.0
  O  O22  1  0.499  0.552  0.776  1.0
  O  O23  1  0.951  0.039  0.716  1.0
  O  O24  1  0.594  0.207  0.664  1.0
  O  O25  1  0.969  0.620  0.642  1.0
  O  O26  1  0.301  0.854  0.669  1.0
  O  O27  1  0.328  0.510  0.565  1.0
  O  O28  1  0.916  0.211  0.532  1.0
  O  O29  1  0.680  0.878  0.556  1.0
  O  O30  1  0.320  0.122  0.444  1.0
  O  O31  1  0.084  0.789  0.468  1.0
  O  O32  1  0.672  0.490  0.435  1.0
  O  O33  1  0.699  0.146  0.331  1.0
  O  O34  1  0.031  0.380  0.358  1.0
  O  O35  1  0.406  0.793  0.336  1.0
  O  O36  1  0.049  0.961  0.284  1.0
  O  O37  1  0.501  0.448  0.224  1.0
  O  O38  1  0.277  0.131  0.152  1.0
  O  O39  1  0.950  0.513  0.161  1.0
  O  O40  1  0.686  0.806  0.162  1.0
  O  O41  1  0.636  0.198  0.072  1.0
  O  O42  1  0.036  0.819  0.061  1.0
  O  O43  1  0.294  0.429  0.024  1.0
[/CIF]
.
The structure described by Li2Cr2O7 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a see-saw-like geometry to one O(2), one O(3), one O(4), and one O(6) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(3), one O(6), and one O(8) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(12), one O(4), and one O(9) atom. In the fourth Li site, Li(4) is bonded to one O(10), one O(14), one O(7), and two equivalent O(12) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Cr(2)O4 tetrahedra,  a cornercorner with one Cr(3)O4 tetrahedra, corners with three equivalent Cr(4)O4 tetrahedra, and  an edgeedge with one Li(4)O5 square pyramid. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form corner-sharing CrO4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form CrO4 tetrahedra that share  a cornercorner with one Li(4)O5 square pyramid and  a cornercorner with one Cr(1)O4 tetrahedra. In the third Cr site, Cr(3) is bonded to one O(13), one O(14), one O(8), and one O(9) atom to form CrO4 tetrahedra that share  a cornercorner with one Li(4)O5 square pyramid and  a cornercorner with one Cr(4)O4 tetrahedra. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(11), one O(12), and one O(13) atom to form CrO4 tetrahedra that share corners with three equivalent Li(4)O5 square pyramids and  a cornercorner with one Cr(3)O4 tetrahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(3), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Li(4) and one Cr(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(2) and one Cr(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Li(3) and one Cr(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Li(4) and one Cr(4) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Cr(4) atom. In the twelfth O site, O(12) is bonded to one Li(3), two equivalent Li(4), and one Cr(4) atom to form distorted edge-sharing OLi3Cr tetrahedra. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Cr(3) and one Cr(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Li(4) and one Cr(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Cr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.476
_cell_length_b   7.086
_cell_length_c   12.633
_cell_angle_alpha   94.814
_cell_angle_beta   96.589
_cell_angle_gamma   90.916
_symmetry_Int_Tables_number   1
_cell_volume   573.628
_cell_formula_units_Z   4
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  0.653  0.149  0.891  1.0
  Li  Li1  1  0.068  0.861  0.847  1.0
  Li  Li2  1  0.301  0.251  0.650  1.0
  Li  Li3  1  0.645  0.606  0.607  1.0
  Li  Li4  1  0.355  0.394  0.393  1.0
  Li  Li5  1  0.699  0.749  0.350  1.0
  Li  Li6  1  0.932  0.139  0.153  1.0
  Li  Li7  1  0.347  0.851  0.109  1.0
  Cr  Cr8  1  0.149  0.319  0.905  1.0
  Cr  Cr9  1  0.565  0.702  0.879  1.0
  Cr  Cr10  1  0.777  0.078  0.617  1.0
  Cr  Cr11  1  0.173  0.691  0.590  1.0
  Cr  Cr12  1  0.827  0.309  0.410  1.0
  Cr  Cr13  1  0.223  0.922  0.383  1.0
  Cr  Cr14  1  0.435  0.298  0.121  1.0
  Cr  Cr15  1  0.851  0.681  0.095  1.0
  O  O16  1  0.706  0.571  0.976  1.0
  O  O17  1  0.964  0.181  0.939  1.0
  O  O18  1  0.364  0.802  0.928  1.0
  O  O19  1  0.314  0.194  0.838  1.0
  O  O20  1  0.050  0.487  0.839  1.0
  O  O21  1  0.723  0.869  0.848  1.0
  O  O22  1  0.499  0.552  0.776  1.0
  O  O23  1  0.951  0.039  0.716  1.0
  O  O24  1  0.594  0.207  0.664  1.0
  O  O25  1  0.969  0.620  0.642  1.0
  O  O26  1  0.301  0.854  0.669  1.0
  O  O27  1  0.328  0.510  0.565  1.0
  O  O28  1  0.916  0.211  0.532  1.0
  O  O29  1  0.680  0.878  0.556  1.0
  O  O30  1  0.320  0.122  0.444  1.0
  O  O31  1  0.084  0.789  0.468  1.0
  O  O32  1  0.672  0.490  0.435  1.0
  O  O33  1  0.699  0.146  0.331  1.0
  O  O34  1  0.031  0.380  0.358  1.0
  O  O35  1  0.406  0.793  0.336  1.0
  O  O36  1  0.049  0.961  0.284  1.0
  O  O37  1  0.501  0.448  0.224  1.0
  O  O38  1  0.277  0.131  0.152  1.0
  O  O39  1  0.950  0.513  0.161  1.0
  O  O40  1  0.686  0.806  0.162  1.0
  O  O41  1  0.636  0.198  0.072  1.0
  O  O42  1  0.036  0.819  0.061  1.0
  O  O43  1  0.294  0.429  0.024  1.0
[/CIF]
.