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 in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-72°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CrO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-72°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form distorted CrO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-69°. 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(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. 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 Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(2), 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(2), and one P(1) atom. In the third O site, O(3) is bonded to one Li(2), one Cr(1), one Cr(2), and one P(1) atom to form distorted corner-sharing OLiCr2P trigonal pyramids. 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 4-coordinate geometry to one Li(2), one Cr(1), one Cr(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), 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(1), and one P(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Cr(1), one Cr(2), and one P(2) atom to form distorted corner-sharing OLiCr2P trigonal pyramids. is represented by the CIF file [CIF]
data_LiCrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.803
_cell_length_b   6.363
_cell_length_c   10.302
_cell_angle_alpha   89.999
_cell_angle_beta   89.997
_cell_angle_gamma   90.279
_symmetry_Int_Tables_number   1
_cell_volume   314.841
_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  0.224  0.282  0.308  1.0
  Li  Li1  1  0.776  0.718  0.808  1.0
  Li  Li2  1  0.712  0.224  0.782  1.0
  Li  Li3  1  0.288  0.776  0.282  1.0
  Cr  Cr4  1  0.797  0.492  0.079  1.0
  Cr  Cr5  1  0.203  0.507  0.579  1.0
  Cr  Cr6  1  0.304  0.996  0.013  1.0
  Cr  Cr7  1  0.696  0.004  0.513  1.0
  P  P8  1  0.854  0.017  0.205  1.0
  P  P9  1  0.146  0.983  0.706  1.0
  P  P10  1  0.343  0.482  0.890  1.0
  P  P11  1  0.657  0.518  0.390  1.0
  O  O12  1  0.949  0.020  0.350  1.0
  O  O13  1  0.051  0.981  0.850  1.0
  O  O14  1  0.534  0.006  0.190  1.0
  O  O15  1  0.466  0.994  0.690  1.0
  O  O16  1  0.000  0.173  0.638  1.0
  O  O17  1  1.000  0.827  0.138  1.0
  O  O18  1  0.984  0.221  0.146  1.0
  O  O19  1  0.016  0.779  0.646  1.0
  O  O20  1  0.472  0.275  0.944  1.0
  O  O21  1  0.528  0.725  0.444  1.0
  O  O22  1  0.554  0.503  0.246  1.0
  O  O23  1  0.445  0.497  0.746  1.0
  O  O24  1  0.023  0.491  0.902  1.0
  O  O25  1  0.977  0.509  0.402  1.0
  O  O26  1  0.510  0.334  0.465  1.0
  O  O27  1  0.490  0.666  0.965  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 in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-72°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CrO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-72°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form distorted CrO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-69°. 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(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. 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 Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(2), 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(2), and one P(1) atom. In the third O site, O(3) is bonded to one Li(2), one Cr(1), one Cr(2), and one P(1) atom to form distorted corner-sharing OLiCr2P trigonal pyramids. 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 4-coordinate geometry to one Li(2), one Cr(1), one Cr(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), 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(1), and one P(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Cr(1), one Cr(2), and one P(2) atom to form distorted corner-sharing OLiCr2P trigonal pyramids. is represented by the CIF file [CIF]
data_LiCrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.803
_cell_length_b   6.363
_cell_length_c   10.302
_cell_angle_alpha   89.999
_cell_angle_beta   89.997
_cell_angle_gamma   90.279
_symmetry_Int_Tables_number   1
_cell_volume   314.841
_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  0.224  0.282  0.308  1.0
  Li  Li1  1  0.776  0.718  0.808  1.0
  Li  Li2  1  0.712  0.224  0.782  1.0
  Li  Li3  1  0.288  0.776  0.282  1.0
  Cr  Cr4  1  0.797  0.492  0.079  1.0
  Cr  Cr5  1  0.203  0.507  0.579  1.0
  Cr  Cr6  1  0.304  0.996  0.013  1.0
  Cr  Cr7  1  0.696  0.004  0.513  1.0
  P  P8  1  0.854  0.017  0.205  1.0
  P  P9  1  0.146  0.983  0.706  1.0
  P  P10  1  0.343  0.482  0.890  1.0
  P  P11  1  0.657  0.518  0.390  1.0
  O  O12  1  0.949  0.020  0.350  1.0
  O  O13  1  0.051  0.981  0.850  1.0
  O  O14  1  0.534  0.006  0.190  1.0
  O  O15  1  0.466  0.994  0.690  1.0
  O  O16  1  0.000  0.173  0.638  1.0
  O  O17  1  1.000  0.827  0.138  1.0
  O  O18  1  0.984  0.221  0.146  1.0
  O  O19  1  0.016  0.779  0.646  1.0
  O  O20  1  0.472  0.275  0.944  1.0
  O  O21  1  0.528  0.725  0.444  1.0
  O  O22  1  0.554  0.503  0.246  1.0
  O  O23  1  0.445  0.497  0.746  1.0
  O  O24  1  0.023  0.491  0.902  1.0
  O  O25  1  0.977  0.509  0.402  1.0
  O  O26  1  0.510  0.334  0.465  1.0
  O  O27  1  0.490  0.666  0.965  1.0
[/CIF]
.