The material described by LiCrPO4 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Cr(1)O5 trigonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(5), one O(7), and one O(8) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted CrO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the second Cr site, Cr(2) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(6), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, 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  a cornercorner with one Li(1)O5 trigonal bipyramid, corners with two equivalent Cr(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Cr(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O5 trigonal bipyramid and corners with two equivalent Li(1)O5 trigonal bipyramids. There are eight 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 4-coordinate geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(1), one Cr(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cr(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(2) atom. is represented by the CIF card [CIF]
data_LiCrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.133
_cell_length_b   4.789
_cell_length_c   7.272
_cell_angle_alpha   84.234
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.063
_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  0.310  0.735  0.247  1.0
  Li  Li1  1  0.731  0.342  0.251  1.0
  Li  Li2  1  0.231  0.658  0.749  1.0
  Li  Li3  1  0.810  0.265  0.753  1.0
  Cr  Cr4  1  0.009  0.826  0.066  1.0
  Cr  Cr5  1  0.083  0.263  0.447  1.0
  Cr  Cr6  1  0.583  0.737  0.553  1.0
  Cr  Cr7  1  0.509  0.174  0.934  1.0
  P  P8  1  0.206  0.203  0.051  1.0
  P  P9  1  0.902  0.725  0.480  1.0
  P  P10  1  0.402  0.275  0.520  1.0
  P  P11  1  0.706  0.797  0.949  1.0
  O  O12  1  0.348  0.091  0.087  1.0
  O  O13  1  0.201  0.525  0.033  1.0
  O  O14  1  0.635  0.919  0.112  1.0
  O  O15  1  0.131  0.055  0.227  1.0
  O  O16  1  0.904  0.626  0.280  1.0
  O  O17  1  0.274  0.408  0.430  1.0
  O  O18  1  0.901  0.049  0.476  1.0
  O  O19  1  0.525  0.402  0.413  1.0
  O  O20  1  0.025  0.598  0.587  1.0
  O  O21  1  0.401  0.951  0.524  1.0
  O  O22  1  0.774  0.592  0.570  1.0
  O  O23  1  0.404  0.374  0.720  1.0
  O  O24  1  0.631  0.945  0.773  1.0
  O  O25  1  0.135  0.081  0.888  1.0
  O  O26  1  0.701  0.475  0.967  1.0
  O  O27  1  0.848  0.909  0.913  1.0
[/CIF]
.
The material described by LiCrPO4 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Cr(1)O5 trigonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(5), one O(7), and one O(8) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted CrO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the second Cr site, Cr(2) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(6), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, 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  a cornercorner with one Li(1)O5 trigonal bipyramid, corners with two equivalent Cr(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Cr(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O5 trigonal bipyramid and corners with two equivalent Li(1)O5 trigonal bipyramids. There are eight 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 4-coordinate geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(1), one Cr(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cr(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(2) atom. is represented by the CIF card [CIF]
data_LiCrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.133
_cell_length_b   4.789
_cell_length_c   7.272
_cell_angle_alpha   84.234
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.063
_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  0.310  0.735  0.247  1.0
  Li  Li1  1  0.731  0.342  0.251  1.0
  Li  Li2  1  0.231  0.658  0.749  1.0
  Li  Li3  1  0.810  0.265  0.753  1.0
  Cr  Cr4  1  0.009  0.826  0.066  1.0
  Cr  Cr5  1  0.083  0.263  0.447  1.0
  Cr  Cr6  1  0.583  0.737  0.553  1.0
  Cr  Cr7  1  0.509  0.174  0.934  1.0
  P  P8  1  0.206  0.203  0.051  1.0
  P  P9  1  0.902  0.725  0.480  1.0
  P  P10  1  0.402  0.275  0.520  1.0
  P  P11  1  0.706  0.797  0.949  1.0
  O  O12  1  0.348  0.091  0.087  1.0
  O  O13  1  0.201  0.525  0.033  1.0
  O  O14  1  0.635  0.919  0.112  1.0
  O  O15  1  0.131  0.055  0.227  1.0
  O  O16  1  0.904  0.626  0.280  1.0
  O  O17  1  0.274  0.408  0.430  1.0
  O  O18  1  0.901  0.049  0.476  1.0
  O  O19  1  0.525  0.402  0.413  1.0
  O  O20  1  0.025  0.598  0.587  1.0
  O  O21  1  0.401  0.951  0.524  1.0
  O  O22  1  0.774  0.592  0.570  1.0
  O  O23  1  0.404  0.374  0.720  1.0
  O  O24  1  0.631  0.945  0.773  1.0
  O  O25  1  0.135  0.081  0.888  1.0
  O  O26  1  0.701  0.475  0.967  1.0
  O  O27  1  0.848  0.909  0.913  1.0
[/CIF]
.