The crystal structure described by Li2Cr2O7 crystallizes in the tetragonal P4_12_12 space group. Li(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. Cr(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing CrO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to three equivalent Li(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_Li2Cr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.614
_cell_length_b   6.614
_cell_length_c   12.455
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   544.874
_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  0.113  0.647  0.132  1.0
  Li  Li1  1  0.147  0.387  0.882  1.0
  Li  Li2  1  0.353  0.887  0.368  1.0
  Li  Li3  1  0.387  0.147  0.118  1.0
  Li  Li4  1  0.613  0.853  0.618  1.0
  Li  Li5  1  0.647  0.113  0.868  1.0
  Li  Li6  1  0.853  0.613  0.382  1.0
  Li  Li7  1  0.887  0.353  0.632  1.0
  Cr  Cr8  1  0.094  0.838  0.619  1.0
  Cr  Cr9  1  0.162  0.906  0.881  1.0
  Cr  Cr10  1  0.338  0.406  0.369  1.0
  Cr  Cr11  1  0.406  0.338  0.631  1.0
  Cr  Cr12  1  0.594  0.662  0.131  1.0
  Cr  Cr13  1  0.662  0.594  0.869  1.0
  Cr  Cr14  1  0.838  0.094  0.381  1.0
  Cr  Cr15  1  0.906  0.162  0.119  1.0
  O  O16  1  0.040  0.951  0.376  1.0
  O  O17  1  0.049  0.350  0.076  1.0
  O  O18  1  0.049  0.960  0.124  1.0
  O  O19  1  0.132  0.708  0.958  1.0
  O  O20  1  0.150  0.549  0.326  1.0
  O  O21  1  0.208  0.368  0.708  1.0
  O  O22  1  0.193  0.807  0.750  1.0
  O  O23  1  0.307  0.307  0.500  1.0
  O  O24  1  0.292  0.868  0.542  1.0
  O  O25  1  0.350  0.049  0.924  1.0
  O  O26  1  0.368  0.208  0.292  1.0
  O  O27  1  0.451  0.460  0.126  1.0
  O  O28  1  0.451  0.850  0.174  1.0
  O  O29  1  0.460  0.451  0.874  1.0
  O  O30  1  0.540  0.549  0.374  1.0
  O  O31  1  0.549  0.150  0.674  1.0
  O  O32  1  0.549  0.540  0.626  1.0
  O  O33  1  0.632  0.792  0.792  1.0
  O  O34  1  0.650  0.951  0.424  1.0
  O  O35  1  0.708  0.132  0.042  1.0
  O  O36  1  0.693  0.693  0.000  1.0
  O  O37  1  0.807  0.193  0.250  1.0
  O  O38  1  0.792  0.632  0.208  1.0
  O  O39  1  0.850  0.451  0.826  1.0
  O  O40  1  0.868  0.292  0.458  1.0
  O  O41  1  0.951  0.040  0.624  1.0
  O  O42  1  0.951  0.650  0.576  1.0
  O  O43  1  0.960  0.049  0.876  1.0
[/CIF]
.
The crystal structure described by Li2Cr2O7 crystallizes in the tetragonal P4_12_12 space group. Li(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. Cr(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing CrO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to three equivalent Li(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_Li2Cr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.614
_cell_length_b   6.614
_cell_length_c   12.455
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   544.874
_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  0.113  0.647  0.132  1.0
  Li  Li1  1  0.147  0.387  0.882  1.0
  Li  Li2  1  0.353  0.887  0.368  1.0
  Li  Li3  1  0.387  0.147  0.118  1.0
  Li  Li4  1  0.613  0.853  0.618  1.0
  Li  Li5  1  0.647  0.113  0.868  1.0
  Li  Li6  1  0.853  0.613  0.382  1.0
  Li  Li7  1  0.887  0.353  0.632  1.0
  Cr  Cr8  1  0.094  0.838  0.619  1.0
  Cr  Cr9  1  0.162  0.906  0.881  1.0
  Cr  Cr10  1  0.338  0.406  0.369  1.0
  Cr  Cr11  1  0.406  0.338  0.631  1.0
  Cr  Cr12  1  0.594  0.662  0.131  1.0
  Cr  Cr13  1  0.662  0.594  0.869  1.0
  Cr  Cr14  1  0.838  0.094  0.381  1.0
  Cr  Cr15  1  0.906  0.162  0.119  1.0
  O  O16  1  0.040  0.951  0.376  1.0
  O  O17  1  0.049  0.350  0.076  1.0
  O  O18  1  0.049  0.960  0.124  1.0
  O  O19  1  0.132  0.708  0.958  1.0
  O  O20  1  0.150  0.549  0.326  1.0
  O  O21  1  0.208  0.368  0.708  1.0
  O  O22  1  0.193  0.807  0.750  1.0
  O  O23  1  0.307  0.307  0.500  1.0
  O  O24  1  0.292  0.868  0.542  1.0
  O  O25  1  0.350  0.049  0.924  1.0
  O  O26  1  0.368  0.208  0.292  1.0
  O  O27  1  0.451  0.460  0.126  1.0
  O  O28  1  0.451  0.850  0.174  1.0
  O  O29  1  0.460  0.451  0.874  1.0
  O  O30  1  0.540  0.549  0.374  1.0
  O  O31  1  0.549  0.150  0.674  1.0
  O  O32  1  0.549  0.540  0.626  1.0
  O  O33  1  0.632  0.792  0.792  1.0
  O  O34  1  0.650  0.951  0.424  1.0
  O  O35  1  0.708  0.132  0.042  1.0
  O  O36  1  0.693  0.693  0.000  1.0
  O  O37  1  0.807  0.193  0.250  1.0
  O  O38  1  0.792  0.632  0.208  1.0
  O  O39  1  0.850  0.451  0.826  1.0
  O  O40  1  0.868  0.292  0.458  1.0
  O  O41  1  0.951  0.040  0.624  1.0
  O  O42  1  0.951  0.650  0.576  1.0
  O  O43  1  0.960  0.049  0.876  1.0
[/CIF]
.