The material structure described by LiCrPO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(2) atoms. Cr(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted CrO5 square pyramids that share corners with two equivalent Cr(1)O5 square pyramids, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids and  an edgeedge with one Cr(1)O5 square pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cr(1) and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(1), and one P(1) atom to form corner-sharing OLi2CrP tetrahedra. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. is represented by the CIF file [CIF]
data_LiCrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.986
_cell_length_b   7.944
_cell_length_c   9.183
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   363.750
_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  0.947  0.049  0.617  1.0
  Li  Li1  1  0.447  0.451  0.117  1.0
  Li  Li2  1  0.947  0.549  0.883  1.0
  Li  Li3  1  0.447  0.951  0.383  1.0
  Cr  Cr4  1  0.968  0.165  0.039  1.0
  Cr  Cr5  1  0.468  0.335  0.539  1.0
  Cr  Cr6  1  0.968  0.665  0.461  1.0
  Cr  Cr7  1  0.468  0.835  0.961  1.0
  P  P8  1  0.563  0.231  0.854  1.0
  P  P9  1  0.063  0.269  0.354  1.0
  P  P10  1  0.563  0.731  0.646  1.0
  P  P11  1  0.063  0.769  0.146  1.0
  O  O12  1  0.650  0.060  0.927  1.0
  O  O13  1  0.211  0.139  0.457  1.0
  O  O14  1  0.262  0.261  0.850  1.0
  O  O15  1  0.691  0.224  0.699  1.0
  O  O16  1  0.191  0.276  0.199  1.0
  O  O17  1  0.762  0.239  0.350  1.0
  O  O18  1  0.711  0.361  0.957  1.0
  O  O19  1  0.150  0.440  0.427  1.0
  O  O20  1  0.650  0.560  0.573  1.0
  O  O21  1  0.211  0.639  0.043  1.0
  O  O22  1  0.262  0.761  0.650  1.0
  O  O23  1  0.691  0.724  0.801  1.0
  O  O24  1  0.191  0.776  0.301  1.0
  O  O25  1  0.762  0.739  0.150  1.0
  O  O26  1  0.711  0.861  0.543  1.0
  O  O27  1  0.150  0.940  0.073  1.0
[/CIF]
.
The material structure described by LiCrPO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(2) atoms. Cr(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted CrO5 square pyramids that share corners with two equivalent Cr(1)O5 square pyramids, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids and  an edgeedge with one Cr(1)O5 square pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cr(1) and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(1), and one P(1) atom to form corner-sharing OLi2CrP tetrahedra. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. is represented by the CIF file [CIF]
data_LiCrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.986
_cell_length_b   7.944
_cell_length_c   9.183
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   363.750
_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  0.947  0.049  0.617  1.0
  Li  Li1  1  0.447  0.451  0.117  1.0
  Li  Li2  1  0.947  0.549  0.883  1.0
  Li  Li3  1  0.447  0.951  0.383  1.0
  Cr  Cr4  1  0.968  0.165  0.039  1.0
  Cr  Cr5  1  0.468  0.335  0.539  1.0
  Cr  Cr6  1  0.968  0.665  0.461  1.0
  Cr  Cr7  1  0.468  0.835  0.961  1.0
  P  P8  1  0.563  0.231  0.854  1.0
  P  P9  1  0.063  0.269  0.354  1.0
  P  P10  1  0.563  0.731  0.646  1.0
  P  P11  1  0.063  0.769  0.146  1.0
  O  O12  1  0.650  0.060  0.927  1.0
  O  O13  1  0.211  0.139  0.457  1.0
  O  O14  1  0.262  0.261  0.850  1.0
  O  O15  1  0.691  0.224  0.699  1.0
  O  O16  1  0.191  0.276  0.199  1.0
  O  O17  1  0.762  0.239  0.350  1.0
  O  O18  1  0.711  0.361  0.957  1.0
  O  O19  1  0.150  0.440  0.427  1.0
  O  O20  1  0.650  0.560  0.573  1.0
  O  O21  1  0.211  0.639  0.043  1.0
  O  O22  1  0.262  0.761  0.650  1.0
  O  O23  1  0.691  0.724  0.801  1.0
  O  O24  1  0.191  0.776  0.301  1.0
  O  O25  1  0.762  0.739  0.150  1.0
  O  O26  1  0.711  0.861  0.543  1.0
  O  O27  1  0.150  0.940  0.073  1.0
[/CIF]
.