The material structure described by LiCrP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Cr(1)O5 trigonal bipyramids, and  an edgeedge with one Cr(1)O5 trigonal bipyramid. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(7) atom to form CrO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Cr(1)O5 trigonal bipyramids, and corners with three equivalent Li(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and corners with three equivalent Cr(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one 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 one Li(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom. is represented by the CIF file [CIF]
data_LiCrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.450
_cell_length_b   5.042
_cell_length_c   9.502
_cell_angle_alpha   58.578
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   549.816
_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  0.380  0.990  0.356  1.0
  Li  Li1  1  0.880  0.010  0.144  1.0
  Li  Li2  1  0.120  0.990  0.856  1.0
  Li  Li3  1  0.620  0.010  0.644  1.0
  Cr  Cr4  1  0.668  0.027  0.266  1.0
  Cr  Cr5  1  0.832  0.027  0.766  1.0
  Cr  Cr6  1  0.332  0.973  0.734  1.0
  Cr  Cr7  1  0.168  0.973  0.234  1.0
  P  P8  1  0.471  0.482  0.726  1.0
  P  P9  1  0.529  0.518  0.274  1.0
  P  P10  1  0.822  0.731  0.539  1.0
  P  P11  1  0.678  0.731  0.039  1.0
  P  P12  1  0.029  0.482  0.226  1.0
  P  P13  1  0.322  0.269  0.961  1.0
  P  P14  1  0.178  0.269  0.461  1.0
  P  P15  1  0.971  0.518  0.774  1.0
  O  O16  1  0.044  0.220  0.185  1.0
  O  O17  1  0.784  0.414  0.576  1.0
  O  O18  1  0.392  0.744  0.632  1.0
  O  O19  1  0.425  0.406  0.291  1.0
  O  O20  1  0.940  0.693  0.576  1.0
  O  O21  1  0.060  0.307  0.424  1.0
  O  O22  1  0.892  0.256  0.868  1.0
  O  O23  1  0.775  0.830  0.651  1.0
  O  O24  1  0.544  0.780  0.315  1.0
  O  O25  1  0.075  0.406  0.791  1.0
  O  O26  1  0.440  0.307  0.924  1.0
  O  O27  1  0.806  0.974  0.356  1.0
  O  O28  1  0.575  0.594  0.709  1.0
  O  O29  1  0.284  0.586  0.924  1.0
  O  O30  1  0.456  0.220  0.685  1.0
  O  O31  1  0.608  0.256  0.368  1.0
  O  O32  1  0.716  0.414  0.076  1.0
  O  O33  1  0.194  0.026  0.644  1.0
  O  O34  1  0.108  0.744  0.132  1.0
  O  O35  1  0.925  0.594  0.209  1.0
  O  O36  1  0.956  0.780  0.815  1.0
  O  O37  1  0.560  0.693  0.076  1.0
  O  O38  1  0.694  0.974  0.856  1.0
  O  O39  1  0.225  0.170  0.349  1.0
  O  O40  1  0.725  0.830  0.151  1.0
  O  O41  1  0.306  0.026  0.144  1.0
  O  O42  1  0.275  0.170  0.849  1.0
  O  O43  1  0.216  0.586  0.424  1.0
[/CIF]
.
The material structure described by LiCrP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Cr(1)O5 trigonal bipyramids, and  an edgeedge with one Cr(1)O5 trigonal bipyramid. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(7) atom to form CrO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Cr(1)O5 trigonal bipyramids, and corners with three equivalent Li(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and corners with three equivalent Cr(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one 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 one Li(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom. is represented by the CIF file [CIF]
data_LiCrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.450
_cell_length_b   5.042
_cell_length_c   9.502
_cell_angle_alpha   58.578
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   549.816
_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  0.380  0.990  0.356  1.0
  Li  Li1  1  0.880  0.010  0.144  1.0
  Li  Li2  1  0.120  0.990  0.856  1.0
  Li  Li3  1  0.620  0.010  0.644  1.0
  Cr  Cr4  1  0.668  0.027  0.266  1.0
  Cr  Cr5  1  0.832  0.027  0.766  1.0
  Cr  Cr6  1  0.332  0.973  0.734  1.0
  Cr  Cr7  1  0.168  0.973  0.234  1.0
  P  P8  1  0.471  0.482  0.726  1.0
  P  P9  1  0.529  0.518  0.274  1.0
  P  P10  1  0.822  0.731  0.539  1.0
  P  P11  1  0.678  0.731  0.039  1.0
  P  P12  1  0.029  0.482  0.226  1.0
  P  P13  1  0.322  0.269  0.961  1.0
  P  P14  1  0.178  0.269  0.461  1.0
  P  P15  1  0.971  0.518  0.774  1.0
  O  O16  1  0.044  0.220  0.185  1.0
  O  O17  1  0.784  0.414  0.576  1.0
  O  O18  1  0.392  0.744  0.632  1.0
  O  O19  1  0.425  0.406  0.291  1.0
  O  O20  1  0.940  0.693  0.576  1.0
  O  O21  1  0.060  0.307  0.424  1.0
  O  O22  1  0.892  0.256  0.868  1.0
  O  O23  1  0.775  0.830  0.651  1.0
  O  O24  1  0.544  0.780  0.315  1.0
  O  O25  1  0.075  0.406  0.791  1.0
  O  O26  1  0.440  0.307  0.924  1.0
  O  O27  1  0.806  0.974  0.356  1.0
  O  O28  1  0.575  0.594  0.709  1.0
  O  O29  1  0.284  0.586  0.924  1.0
  O  O30  1  0.456  0.220  0.685  1.0
  O  O31  1  0.608  0.256  0.368  1.0
  O  O32  1  0.716  0.414  0.076  1.0
  O  O33  1  0.194  0.026  0.644  1.0
  O  O34  1  0.108  0.744  0.132  1.0
  O  O35  1  0.925  0.594  0.209  1.0
  O  O36  1  0.956  0.780  0.815  1.0
  O  O37  1  0.560  0.693  0.076  1.0
  O  O38  1  0.694  0.974  0.856  1.0
  O  O39  1  0.225  0.170  0.349  1.0
  O  O40  1  0.725  0.830  0.151  1.0
  O  O41  1  0.306  0.026  0.144  1.0
  O  O42  1  0.275  0.170  0.849  1.0
  O  O43  1  0.216  0.586  0.424  1.0
[/CIF]
.