The structure described by Li2CrP2O7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Cr(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.814
_cell_length_b   7.814
_cell_length_c   7.977
_cell_angle_alpha   64.125
_cell_angle_beta   64.125
_cell_angle_gamma   42.255
_symmetry_Int_Tables_number   1
_cell_volume   289.440
_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  0.064  0.375  0.190  1.0
  Li  Li1  1  0.375  0.064  0.690  1.0
  Li  Li2  1  0.936  0.625  0.810  1.0
  Li  Li3  1  0.625  0.936  0.310  1.0
  Cr  Cr4  1  0.000  0.000  0.500  1.0
  Cr  Cr5  1  0.000  0.000  0.000  1.0
  P  P6  1  0.248  0.526  0.356  1.0
  P  P7  1  0.752  0.474  0.644  1.0
  P  P8  1  0.474  0.752  0.144  1.0
  P  P9  1  0.526  0.248  0.856  1.0
  O  O10  1  0.253  0.358  0.917  1.0
  O  O11  1  0.340  0.885  0.971  1.0
  O  O12  1  0.358  0.253  0.417  1.0
  O  O13  1  0.063  0.698  0.215  1.0
  O  O14  1  0.302  0.937  0.285  1.0
  O  O15  1  0.660  0.115  0.029  1.0
  O  O16  1  0.115  0.660  0.529  1.0
  O  O17  1  0.698  0.063  0.715  1.0
  O  O18  1  0.507  0.493  0.750  1.0
  O  O19  1  0.747  0.642  0.083  1.0
  O  O20  1  0.493  0.507  0.250  1.0
  O  O21  1  0.642  0.747  0.583  1.0
  O  O22  1  0.937  0.302  0.785  1.0
  O  O23  1  0.885  0.340  0.471  1.0
[/CIF]
.
The structure described by Li2CrP2O7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Cr(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.814
_cell_length_b   7.814
_cell_length_c   7.977
_cell_angle_alpha   64.125
_cell_angle_beta   64.125
_cell_angle_gamma   42.255
_symmetry_Int_Tables_number   1
_cell_volume   289.440
_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  0.064  0.375  0.190  1.0
  Li  Li1  1  0.375  0.064  0.690  1.0
  Li  Li2  1  0.936  0.625  0.810  1.0
  Li  Li3  1  0.625  0.936  0.310  1.0
  Cr  Cr4  1  0.000  0.000  0.500  1.0
  Cr  Cr5  1  0.000  0.000  0.000  1.0
  P  P6  1  0.248  0.526  0.356  1.0
  P  P7  1  0.752  0.474  0.644  1.0
  P  P8  1  0.474  0.752  0.144  1.0
  P  P9  1  0.526  0.248  0.856  1.0
  O  O10  1  0.253  0.358  0.917  1.0
  O  O11  1  0.340  0.885  0.971  1.0
  O  O12  1  0.358  0.253  0.417  1.0
  O  O13  1  0.063  0.698  0.215  1.0
  O  O14  1  0.302  0.937  0.285  1.0
  O  O15  1  0.660  0.115  0.029  1.0
  O  O16  1  0.115  0.660  0.529  1.0
  O  O17  1  0.698  0.063  0.715  1.0
  O  O18  1  0.507  0.493  0.750  1.0
  O  O19  1  0.747  0.642  0.083  1.0
  O  O20  1  0.493  0.507  0.250  1.0
  O  O21  1  0.642  0.747  0.583  1.0
  O  O22  1  0.937  0.302  0.785  1.0
  O  O23  1  0.885  0.340  0.471  1.0
[/CIF]
.