The structure described by Li3Cr2(PO4)3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(9), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. In the second Li site, Li(2) is bonded to one O(1), one O(6), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 66-82°. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(7), one O(9), and two equivalent O(4) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(5), one O(7), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Cr(3)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Li(2)O4 tetrahedra, corners with six equivalent P(2)O4 tetrahedra, and edges with two equivalent Li(1)O6 octahedra. In the third Cr site, Cr(3) is bonded to two equivalent O(8) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent P(3)O4 tetrahedra and edges with two equivalent Cr(1)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(5), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and  a cornercorner with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the third P site, P(3) is bonded to one O(7), one O(8), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with three equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Cr(2), and one P(2) atom to form a mixture of distorted corner and edge-sharing OLi2CrP trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(3), and one P(3) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Cr(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2CrP trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one P(2) atom. is represented by the CIF file [CIF]
data_Li3Cr2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.854
_cell_length_b   4.854
_cell_length_c   18.742
_cell_angle_alpha   89.636
_cell_angle_beta   89.636
_cell_angle_gamma   66.408
_symmetry_Int_Tables_number   1
_cell_volume   404.654
_cell_formula_units_Z   2
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  0.000  0.000  0.333  1.0
  Li  Li1  1  1.000  1.000  0.667  1.0
  Li  Li2  1  0.675  0.675  0.589  1.0
  Li  Li3  1  0.673  0.673  0.255  1.0
  Li  Li4  1  0.327  0.327  0.745  1.0
  Li  Li5  1  0.325  0.325  0.411  1.0
  Cr  Cr6  1  0.998  0.998  0.164  1.0
  Cr  Cr7  1  0.000  0.000  0.500  1.0
  Cr  Cr8  1  0.000  0.000  0.000  1.0
  Cr  Cr9  1  0.002  0.002  0.836  1.0
  P  P10  1  0.345  0.345  0.244  1.0
  P  P11  1  0.350  0.350  0.579  1.0
  P  P12  1  0.650  0.650  0.421  1.0
  P  P13  1  0.652  0.652  0.083  1.0
  P  P14  1  0.348  0.348  0.917  1.0
  P  P15  1  0.655  0.655  0.756  1.0
  O  O16  1  0.252  0.252  0.314  1.0
  O  O17  1  0.766  0.296  0.424  1.0
  O  O18  1  0.706  0.222  0.919  1.0
  O  O19  1  0.778  0.294  0.081  1.0
  O  O20  1  0.222  0.706  0.919  1.0
  O  O21  1  0.294  0.778  0.081  1.0
  O  O22  1  0.296  0.766  0.424  1.0
  O  O23  1  0.234  0.704  0.576  1.0
  O  O24  1  0.230  0.700  0.240  1.0
  O  O25  1  0.300  0.770  0.760  1.0
  O  O26  1  0.231  0.231  0.179  1.0
  O  O27  1  0.770  0.300  0.760  1.0
  O  O28  1  0.241  0.241  0.512  1.0
  O  O29  1  0.249  0.249  0.848  1.0
  O  O30  1  0.237  0.237  0.983  1.0
  O  O31  1  0.250  0.250  0.647  1.0
  O  O32  1  0.750  0.750  0.353  1.0
  O  O33  1  0.748  0.748  0.686  1.0
  O  O34  1  0.751  0.751  0.152  1.0
  O  O35  1  0.763  0.763  0.017  1.0
  O  O36  1  0.759  0.759  0.488  1.0
  O  O37  1  0.769  0.769  0.821  1.0
  O  O38  1  0.700  0.230  0.240  1.0
  O  O39  1  0.704  0.234  0.576  1.0
[/CIF]
.
The structure described by Li3Cr2(PO4)3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(9), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. In the second Li site, Li(2) is bonded to one O(1), one O(6), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 66-82°. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(7), one O(9), and two equivalent O(4) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(5), one O(7), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Cr(3)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Li(2)O4 tetrahedra, corners with six equivalent P(2)O4 tetrahedra, and edges with two equivalent Li(1)O6 octahedra. In the third Cr site, Cr(3) is bonded to two equivalent O(8) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent P(3)O4 tetrahedra and edges with two equivalent Cr(1)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(5), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and  a cornercorner with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the third P site, P(3) is bonded to one O(7), one O(8), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with three equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Cr(2), and one P(2) atom to form a mixture of distorted corner and edge-sharing OLi2CrP trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(3), and one P(3) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Cr(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2CrP trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one P(2) atom. is represented by the CIF file [CIF]
data_Li3Cr2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.854
_cell_length_b   4.854
_cell_length_c   18.742
_cell_angle_alpha   89.636
_cell_angle_beta   89.636
_cell_angle_gamma   66.408
_symmetry_Int_Tables_number   1
_cell_volume   404.654
_cell_formula_units_Z   2
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  0.000  0.000  0.333  1.0
  Li  Li1  1  1.000  1.000  0.667  1.0
  Li  Li2  1  0.675  0.675  0.589  1.0
  Li  Li3  1  0.673  0.673  0.255  1.0
  Li  Li4  1  0.327  0.327  0.745  1.0
  Li  Li5  1  0.325  0.325  0.411  1.0
  Cr  Cr6  1  0.998  0.998  0.164  1.0
  Cr  Cr7  1  0.000  0.000  0.500  1.0
  Cr  Cr8  1  0.000  0.000  0.000  1.0
  Cr  Cr9  1  0.002  0.002  0.836  1.0
  P  P10  1  0.345  0.345  0.244  1.0
  P  P11  1  0.350  0.350  0.579  1.0
  P  P12  1  0.650  0.650  0.421  1.0
  P  P13  1  0.652  0.652  0.083  1.0
  P  P14  1  0.348  0.348  0.917  1.0
  P  P15  1  0.655  0.655  0.756  1.0
  O  O16  1  0.252  0.252  0.314  1.0
  O  O17  1  0.766  0.296  0.424  1.0
  O  O18  1  0.706  0.222  0.919  1.0
  O  O19  1  0.778  0.294  0.081  1.0
  O  O20  1  0.222  0.706  0.919  1.0
  O  O21  1  0.294  0.778  0.081  1.0
  O  O22  1  0.296  0.766  0.424  1.0
  O  O23  1  0.234  0.704  0.576  1.0
  O  O24  1  0.230  0.700  0.240  1.0
  O  O25  1  0.300  0.770  0.760  1.0
  O  O26  1  0.231  0.231  0.179  1.0
  O  O27  1  0.770  0.300  0.760  1.0
  O  O28  1  0.241  0.241  0.512  1.0
  O  O29  1  0.249  0.249  0.848  1.0
  O  O30  1  0.237  0.237  0.983  1.0
  O  O31  1  0.250  0.250  0.647  1.0
  O  O32  1  0.750  0.750  0.353  1.0
  O  O33  1  0.748  0.748  0.686  1.0
  O  O34  1  0.751  0.751  0.152  1.0
  O  O35  1  0.763  0.763  0.017  1.0
  O  O36  1  0.759  0.759  0.488  1.0
  O  O37  1  0.769  0.769  0.821  1.0
  O  O38  1  0.700  0.230  0.240  1.0
  O  O39  1  0.704  0.234  0.576  1.0
[/CIF]
.