The material described by LiCrP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-54°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. 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 distorted T-shaped geometry to one Li(1), one Cr(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Li(1), one Cr(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiCrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.124
_cell_length_b   5.011
_cell_length_c   13.709
_cell_angle_alpha   72.864
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   533.312
_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  0.204  0.454  0.244  1.0
  Li  Li1  1  0.296  0.454  0.744  1.0
  Li  Li2  1  0.704  0.546  0.256  1.0
  Li  Li3  1  0.796  0.546  0.756  1.0
  Cr  Cr4  1  0.146  0.858  0.870  1.0
  Cr  Cr5  1  0.646  0.142  0.630  1.0
  Cr  Cr6  1  0.854  0.142  0.130  1.0
  Cr  Cr7  1  0.354  0.858  0.370  1.0
  P  P8  1  0.205  0.224  0.022  1.0
  P  P9  1  0.958  0.960  0.319  1.0
  P  P10  1  0.795  0.776  0.978  1.0
  P  P11  1  0.705  0.776  0.478  1.0
  P  P12  1  0.042  0.040  0.681  1.0
  P  P13  1  0.458  0.040  0.181  1.0
  P  P14  1  0.542  0.960  0.819  1.0
  P  P15  1  0.295  0.224  0.522  1.0
  O  O16  1  0.590  0.726  0.396  1.0
  O  O17  1  0.647  0.220  0.769  1.0
  O  O18  1  0.169  0.947  0.001  1.0
  O  O19  1  0.366  0.046  0.835  1.0
  O  O20  1  0.410  0.274  0.604  1.0
  O  O21  1  0.442  0.219  0.255  1.0
  O  O22  1  0.853  0.220  0.269  1.0
  O  O23  1  0.831  0.053  0.999  1.0
  O  O24  1  0.723  0.532  0.575  1.0
  O  O25  1  0.147  0.780  0.731  1.0
  O  O26  1  0.223  0.468  0.925  1.0
  O  O27  1  0.110  0.204  0.570  1.0
  O  O28  1  0.134  0.046  0.335  1.0
  O  O29  1  0.090  0.274  0.104  1.0
  O  O30  1  0.942  0.781  0.245  1.0
  O  O31  1  0.058  0.219  0.755  1.0
  O  O32  1  0.558  0.781  0.745  1.0
  O  O33  1  0.866  0.954  0.665  1.0
  O  O34  1  0.610  0.796  0.930  1.0
  O  O35  1  0.669  0.053  0.499  1.0
  O  O36  1  0.777  0.532  0.075  1.0
  O  O37  1  0.910  0.726  0.896  1.0
  O  O38  1  0.331  0.947  0.501  1.0
  O  O39  1  0.634  0.954  0.165  1.0
  O  O40  1  0.277  0.468  0.425  1.0
  O  O41  1  0.890  0.796  0.430  1.0
  O  O42  1  0.390  0.204  0.070  1.0
  O  O43  1  0.353  0.780  0.231  1.0
[/CIF]
.
The material described by LiCrP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-54°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. 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 distorted T-shaped geometry to one Li(1), one Cr(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Li(1), one Cr(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiCrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.124
_cell_length_b   5.011
_cell_length_c   13.709
_cell_angle_alpha   72.864
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   533.312
_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  0.204  0.454  0.244  1.0
  Li  Li1  1  0.296  0.454  0.744  1.0
  Li  Li2  1  0.704  0.546  0.256  1.0
  Li  Li3  1  0.796  0.546  0.756  1.0
  Cr  Cr4  1  0.146  0.858  0.870  1.0
  Cr  Cr5  1  0.646  0.142  0.630  1.0
  Cr  Cr6  1  0.854  0.142  0.130  1.0
  Cr  Cr7  1  0.354  0.858  0.370  1.0
  P  P8  1  0.205  0.224  0.022  1.0
  P  P9  1  0.958  0.960  0.319  1.0
  P  P10  1  0.795  0.776  0.978  1.0
  P  P11  1  0.705  0.776  0.478  1.0
  P  P12  1  0.042  0.040  0.681  1.0
  P  P13  1  0.458  0.040  0.181  1.0
  P  P14  1  0.542  0.960  0.819  1.0
  P  P15  1  0.295  0.224  0.522  1.0
  O  O16  1  0.590  0.726  0.396  1.0
  O  O17  1  0.647  0.220  0.769  1.0
  O  O18  1  0.169  0.947  0.001  1.0
  O  O19  1  0.366  0.046  0.835  1.0
  O  O20  1  0.410  0.274  0.604  1.0
  O  O21  1  0.442  0.219  0.255  1.0
  O  O22  1  0.853  0.220  0.269  1.0
  O  O23  1  0.831  0.053  0.999  1.0
  O  O24  1  0.723  0.532  0.575  1.0
  O  O25  1  0.147  0.780  0.731  1.0
  O  O26  1  0.223  0.468  0.925  1.0
  O  O27  1  0.110  0.204  0.570  1.0
  O  O28  1  0.134  0.046  0.335  1.0
  O  O29  1  0.090  0.274  0.104  1.0
  O  O30  1  0.942  0.781  0.245  1.0
  O  O31  1  0.058  0.219  0.755  1.0
  O  O32  1  0.558  0.781  0.745  1.0
  O  O33  1  0.866  0.954  0.665  1.0
  O  O34  1  0.610  0.796  0.930  1.0
  O  O35  1  0.669  0.053  0.499  1.0
  O  O36  1  0.777  0.532  0.075  1.0
  O  O37  1  0.910  0.726  0.896  1.0
  O  O38  1  0.331  0.947  0.501  1.0
  O  O39  1  0.634  0.954  0.165  1.0
  O  O40  1  0.277  0.468  0.425  1.0
  O  O41  1  0.890  0.796  0.430  1.0
  O  O42  1  0.390  0.204  0.070  1.0
  O  O43  1  0.353  0.780  0.231  1.0
[/CIF]
.