The structure described by Li2Cr2O7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two 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 bent 150 degrees geometry to one Li(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Cr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.006
_cell_length_b   8.006
_cell_length_c   5.931
_cell_angle_alpha   79.219
_cell_angle_beta   79.219
_cell_angle_gamma   56.767
_symmetry_Int_Tables_number   1
_cell_volume   310.718
_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  0.757  0.896  0.893  1.0
  Li  Li1  1  0.896  0.757  0.393  1.0
  Li  Li2  1  0.104  0.243  0.607  1.0
  Li  Li3  1  0.243  0.104  0.107  1.0
  Cr  Cr4  1  0.196  0.575  0.878  1.0
  Cr  Cr5  1  0.575  0.196  0.378  1.0
  Cr  Cr6  1  0.425  0.804  0.622  1.0
  Cr  Cr7  1  0.804  0.425  0.122  1.0
  O  O8  1  0.699  0.090  0.606  1.0
  O  O9  1  0.090  0.699  0.106  1.0
  O  O10  1  0.026  0.677  0.693  1.0
  O  O11  1  0.677  0.026  0.193  1.0
  O  O12  1  0.277  0.339  0.948  1.0
  O  O13  1  0.339  0.277  0.448  1.0
  O  O14  1  0.661  0.723  0.552  1.0
  O  O15  1  0.723  0.661  0.052  1.0
  O  O16  1  0.323  0.974  0.807  1.0
  O  O17  1  0.974  0.323  0.307  1.0
  O  O18  1  0.910  0.301  0.894  1.0
  O  O19  1  0.301  0.910  0.394  1.0
  O  O20  1  0.404  0.596  0.750  1.0
  O  O21  1  0.596  0.404  0.250  1.0
[/CIF]
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The structure described by Li2Cr2O7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two 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 bent 150 degrees geometry to one Li(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Cr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.006
_cell_length_b   8.006
_cell_length_c   5.931
_cell_angle_alpha   79.219
_cell_angle_beta   79.219
_cell_angle_gamma   56.767
_symmetry_Int_Tables_number   1
_cell_volume   310.718
_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  0.757  0.896  0.893  1.0
  Li  Li1  1  0.896  0.757  0.393  1.0
  Li  Li2  1  0.104  0.243  0.607  1.0
  Li  Li3  1  0.243  0.104  0.107  1.0
  Cr  Cr4  1  0.196  0.575  0.878  1.0
  Cr  Cr5  1  0.575  0.196  0.378  1.0
  Cr  Cr6  1  0.425  0.804  0.622  1.0
  Cr  Cr7  1  0.804  0.425  0.122  1.0
  O  O8  1  0.699  0.090  0.606  1.0
  O  O9  1  0.090  0.699  0.106  1.0
  O  O10  1  0.026  0.677  0.693  1.0
  O  O11  1  0.677  0.026  0.193  1.0
  O  O12  1  0.277  0.339  0.948  1.0
  O  O13  1  0.339  0.277  0.448  1.0
  O  O14  1  0.661  0.723  0.552  1.0
  O  O15  1  0.723  0.661  0.052  1.0
  O  O16  1  0.323  0.974  0.807  1.0
  O  O17  1  0.974  0.323  0.307  1.0
  O  O18  1  0.910  0.301  0.894  1.0
  O  O19  1  0.301  0.910  0.394  1.0
  O  O20  1  0.404  0.596  0.750  1.0
  O  O21  1  0.596  0.404  0.250  1.0
[/CIF]
.