The material described by Li3Cr2(PO4)3 crystallizes in the trigonal R-3 space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-69°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form CrO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with six equivalent P(1)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form CrO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with three equivalent Li(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 two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-49°. There are four 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 to two equivalent Li(1), one Cr(2), and one P(1) atom to form distorted corner-sharing OLi2CrP tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Li3Cr2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.906
_cell_length_b   8.906
_cell_length_c   8.906
_cell_angle_alpha   56.139
_cell_angle_beta   56.139
_cell_angle_gamma   56.139
_symmetry_Int_Tables_number   1
_cell_volume   454.908
_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  0.080  0.332  0.736  1.0
  Li  Li1  1  0.920  0.668  0.264  1.0
  Li  Li2  1  0.668  0.264  0.920  1.0
  Li  Li3  1  0.264  0.920  0.668  1.0
  Li  Li4  1  0.736  0.080  0.332  1.0
  Li  Li5  1  0.332  0.736  0.080  1.0
  Cr  Cr6  1  0.855  0.855  0.855  1.0
  Cr  Cr7  1  0.651  0.651  0.651  1.0
  Cr  Cr8  1  0.349  0.349  0.349  1.0
  Cr  Cr9  1  0.145  0.145  0.145  1.0
  P  P10  1  0.462  0.039  0.750  1.0
  P  P11  1  0.750  0.462  0.039  1.0
  P  P12  1  0.250  0.538  0.961  1.0
  P  P13  1  0.538  0.961  0.250  1.0
  P  P14  1  0.039  0.750  0.462  1.0
  P  P15  1  0.961  0.250  0.538  1.0
  O  O16  1  0.121  0.745  0.869  1.0
  O  O17  1  0.463  0.842  0.788  1.0
  O  O18  1  0.788  0.463  0.842  1.0
  O  O19  1  0.842  0.788  0.463  1.0
  O  O20  1  0.158  0.212  0.537  1.0
  O  O21  1  0.212  0.537  0.158  1.0
  O  O22  1  0.537  0.158  0.212  1.0
  O  O23  1  0.170  0.533  0.493  1.0
  O  O24  1  0.131  0.879  0.255  1.0
  O  O25  1  0.004  0.804  0.616  1.0
  O  O26  1  0.255  0.131  0.879  1.0
  O  O27  1  0.869  0.121  0.745  1.0
  O  O28  1  0.533  0.493  0.170  1.0
  O  O29  1  0.196  0.384  0.996  1.0
  O  O30  1  0.493  0.170  0.533  1.0
  O  O31  1  0.384  0.996  0.196  1.0
  O  O32  1  0.616  0.004  0.804  1.0
  O  O33  1  0.879  0.255  0.131  1.0
  O  O34  1  0.804  0.616  0.004  1.0
  O  O35  1  0.467  0.507  0.830  1.0
  O  O36  1  0.507  0.830  0.467  1.0
  O  O37  1  0.745  0.869  0.121  1.0
  O  O38  1  0.996  0.196  0.384  1.0
  O  O39  1  0.830  0.467  0.507  1.0
[/CIF]
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The material described by Li3Cr2(PO4)3 crystallizes in the trigonal R-3 space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-69°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form CrO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with six equivalent P(1)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form CrO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with three equivalent Li(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 two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-49°. There are four 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 to two equivalent Li(1), one Cr(2), and one P(1) atom to form distorted corner-sharing OLi2CrP tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Li3Cr2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.906
_cell_length_b   8.906
_cell_length_c   8.906
_cell_angle_alpha   56.139
_cell_angle_beta   56.139
_cell_angle_gamma   56.139
_symmetry_Int_Tables_number   1
_cell_volume   454.908
_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  0.080  0.332  0.736  1.0
  Li  Li1  1  0.920  0.668  0.264  1.0
  Li  Li2  1  0.668  0.264  0.920  1.0
  Li  Li3  1  0.264  0.920  0.668  1.0
  Li  Li4  1  0.736  0.080  0.332  1.0
  Li  Li5  1  0.332  0.736  0.080  1.0
  Cr  Cr6  1  0.855  0.855  0.855  1.0
  Cr  Cr7  1  0.651  0.651  0.651  1.0
  Cr  Cr8  1  0.349  0.349  0.349  1.0
  Cr  Cr9  1  0.145  0.145  0.145  1.0
  P  P10  1  0.462  0.039  0.750  1.0
  P  P11  1  0.750  0.462  0.039  1.0
  P  P12  1  0.250  0.538  0.961  1.0
  P  P13  1  0.538  0.961  0.250  1.0
  P  P14  1  0.039  0.750  0.462  1.0
  P  P15  1  0.961  0.250  0.538  1.0
  O  O16  1  0.121  0.745  0.869  1.0
  O  O17  1  0.463  0.842  0.788  1.0
  O  O18  1  0.788  0.463  0.842  1.0
  O  O19  1  0.842  0.788  0.463  1.0
  O  O20  1  0.158  0.212  0.537  1.0
  O  O21  1  0.212  0.537  0.158  1.0
  O  O22  1  0.537  0.158  0.212  1.0
  O  O23  1  0.170  0.533  0.493  1.0
  O  O24  1  0.131  0.879  0.255  1.0
  O  O25  1  0.004  0.804  0.616  1.0
  O  O26  1  0.255  0.131  0.879  1.0
  O  O27  1  0.869  0.121  0.745  1.0
  O  O28  1  0.533  0.493  0.170  1.0
  O  O29  1  0.196  0.384  0.996  1.0
  O  O30  1  0.493  0.170  0.533  1.0
  O  O31  1  0.384  0.996  0.196  1.0
  O  O32  1  0.616  0.004  0.804  1.0
  O  O33  1  0.879  0.255  0.131  1.0
  O  O34  1  0.804  0.616  0.004  1.0
  O  O35  1  0.467  0.507  0.830  1.0
  O  O36  1  0.507  0.830  0.467  1.0
  O  O37  1  0.745  0.869  0.121  1.0
  O  O38  1  0.996  0.196  0.384  1.0
  O  O39  1  0.830  0.467  0.507  1.0
[/CIF]
.