The material structure described by Li2CrP2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one P(2), one O(3), one O(4), one O(7), and two equivalent O(5) atoms. In the second Li site, Li(2) is bonded in a 1-coordinate geometry to one O(3) atom. Cr(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(6), and two equivalent O(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(6), and one O(7) atom. In the second P site, P(2) is bonded in a 3-coordinate geometry to one Li(1), one O(3), one O(4), one O(5), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cr(1) and one P(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 P(2) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Li(1), one Cr(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to two equivalent Li(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Cr(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one P(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2CrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.515
_cell_length_b   6.446
_cell_length_c   8.977
_cell_angle_alpha   110.582
_cell_angle_beta   92.710
_cell_angle_gamma   106.396
_symmetry_Int_Tables_number   1
_cell_volume   282.786
_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  0.103  0.779  0.991  1.0
  Li  Li1  1  0.307  0.464  0.759  1.0
  Li  Li2  1  0.693  0.536  0.241  1.0
  Li  Li3  1  0.897  0.221  0.009  1.0
  Cr  Cr4  1  0.113  0.233  0.376  1.0
  Cr  Cr5  1  0.887  0.767  0.624  1.0
  P  P6  1  0.236  0.753  0.391  1.0
  P  P7  1  0.603  0.818  0.886  1.0
  P  P8  1  0.397  0.182  0.114  1.0
  P  P9  1  0.764  0.247  0.609  1.0
  O  O10  1  0.070  0.561  0.324  1.0
  O  O11  1  0.058  0.884  0.416  1.0
  O  O12  1  0.320  0.705  0.871  1.0
  O  O13  1  0.237  0.301  0.163  1.0
  O  O14  1  0.268  0.150  0.952  1.0
  O  O15  1  0.571  0.321  0.460  1.0
  O  O16  1  0.616  0.076  0.756  1.0
  O  O17  1  0.384  0.924  0.244  1.0
  O  O18  1  0.429  0.679  0.540  1.0
  O  O19  1  0.732  0.850  0.048  1.0
  O  O20  1  0.763  0.699  0.837  1.0
  O  O21  1  0.680  0.295  0.129  1.0
  O  O22  1  0.942  0.116  0.584  1.0
  O  O23  1  0.930  0.439  0.676  1.0
[/CIF]
.
The material structure described by Li2CrP2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one P(2), one O(3), one O(4), one O(7), and two equivalent O(5) atoms. In the second Li site, Li(2) is bonded in a 1-coordinate geometry to one O(3) atom. Cr(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(6), and two equivalent O(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(6), and one O(7) atom. In the second P site, P(2) is bonded in a 3-coordinate geometry to one Li(1), one O(3), one O(4), one O(5), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cr(1) and one P(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 P(2) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Li(1), one Cr(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to two equivalent Li(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Cr(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one P(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2CrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.515
_cell_length_b   6.446
_cell_length_c   8.977
_cell_angle_alpha   110.582
_cell_angle_beta   92.710
_cell_angle_gamma   106.396
_symmetry_Int_Tables_number   1
_cell_volume   282.786
_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  0.103  0.779  0.991  1.0
  Li  Li1  1  0.307  0.464  0.759  1.0
  Li  Li2  1  0.693  0.536  0.241  1.0
  Li  Li3  1  0.897  0.221  0.009  1.0
  Cr  Cr4  1  0.113  0.233  0.376  1.0
  Cr  Cr5  1  0.887  0.767  0.624  1.0
  P  P6  1  0.236  0.753  0.391  1.0
  P  P7  1  0.603  0.818  0.886  1.0
  P  P8  1  0.397  0.182  0.114  1.0
  P  P9  1  0.764  0.247  0.609  1.0
  O  O10  1  0.070  0.561  0.324  1.0
  O  O11  1  0.058  0.884  0.416  1.0
  O  O12  1  0.320  0.705  0.871  1.0
  O  O13  1  0.237  0.301  0.163  1.0
  O  O14  1  0.268  0.150  0.952  1.0
  O  O15  1  0.571  0.321  0.460  1.0
  O  O16  1  0.616  0.076  0.756  1.0
  O  O17  1  0.384  0.924  0.244  1.0
  O  O18  1  0.429  0.679  0.540  1.0
  O  O19  1  0.732  0.850  0.048  1.0
  O  O20  1  0.763  0.699  0.837  1.0
  O  O21  1  0.680  0.295  0.129  1.0
  O  O22  1  0.942  0.116  0.584  1.0
  O  O23  1  0.930  0.439  0.676  1.0
[/CIF]
.