The material described by Li3Cr(PO4)2 crystallizes in the trigonal P-3 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(4) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form CrO6 octahedra that share corners with six equivalent 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  a cornercorner with one Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Cr(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(3), two equivalent Li(1), one Cr(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Cr(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.789
_cell_length_b   8.789
_cell_length_c   6.751
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   451.583
_cell_formula_units_Z   3
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  0.373  0.070  0.233  1.0
  Li  Li1  1  0.930  0.303  0.233  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.333  0.667  0.977  1.0
  Li  Li4  1  0.303  0.373  0.767  1.0
  Li  Li5  1  0.697  0.627  0.233  1.0
  Li  Li6  1  0.667  0.333  0.023  1.0
  Li  Li7  1  0.070  0.697  0.767  1.0
  Li  Li8  1  0.627  0.930  0.767  1.0
  Cr  Cr9  1  0.000  0.000  0.500  1.0
  Cr  Cr10  1  0.333  0.667  0.549  1.0
  Cr  Cr11  1  0.667  0.333  0.451  1.0
  P  P12  1  0.025  0.681  0.254  1.0
  P  P13  1  0.319  0.344  0.254  1.0
  P  P14  1  0.656  0.975  0.254  1.0
  P  P15  1  0.344  0.025  0.746  1.0
  P  P16  1  0.681  0.656  0.746  1.0
  P  P17  1  0.975  0.319  0.746  1.0
  O  O18  1  0.144  0.950  0.703  1.0
  O  O19  1  0.115  0.717  0.054  1.0
  O  O20  1  0.156  0.707  0.421  1.0
  O  O21  1  0.372  0.862  0.741  1.0
  O  O22  1  0.138  0.510  0.741  1.0
  O  O23  1  0.050  0.193  0.703  1.0
  O  O24  1  0.551  0.844  0.421  1.0
  O  O25  1  0.293  0.449  0.421  1.0
  O  O26  1  0.193  0.144  0.297  1.0
  O  O27  1  0.283  0.398  0.054  1.0
  O  O28  1  0.602  0.885  0.054  1.0
  O  O29  1  0.490  0.628  0.741  1.0
  O  O30  1  0.510  0.372  0.259  1.0
  O  O31  1  0.398  0.115  0.946  1.0
  O  O32  1  0.717  0.602  0.946  1.0
  O  O33  1  0.807  0.856  0.703  1.0
  O  O34  1  0.707  0.551  0.579  1.0
  O  O35  1  0.449  0.156  0.579  1.0
  O  O36  1  0.950  0.807  0.297  1.0
  O  O37  1  0.862  0.490  0.259  1.0
  O  O38  1  0.628  0.138  0.259  1.0
  O  O39  1  0.844  0.293  0.579  1.0
  O  O40  1  0.885  0.283  0.946  1.0
  O  O41  1  0.856  0.050  0.297  1.0
[/CIF]
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The material described by Li3Cr(PO4)2 crystallizes in the trigonal P-3 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(4) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form CrO6 octahedra that share corners with six equivalent 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  a cornercorner with one Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Cr(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(3), two equivalent Li(1), one Cr(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Cr(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.789
_cell_length_b   8.789
_cell_length_c   6.751
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   451.583
_cell_formula_units_Z   3
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  0.373  0.070  0.233  1.0
  Li  Li1  1  0.930  0.303  0.233  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.333  0.667  0.977  1.0
  Li  Li4  1  0.303  0.373  0.767  1.0
  Li  Li5  1  0.697  0.627  0.233  1.0
  Li  Li6  1  0.667  0.333  0.023  1.0
  Li  Li7  1  0.070  0.697  0.767  1.0
  Li  Li8  1  0.627  0.930  0.767  1.0
  Cr  Cr9  1  0.000  0.000  0.500  1.0
  Cr  Cr10  1  0.333  0.667  0.549  1.0
  Cr  Cr11  1  0.667  0.333  0.451  1.0
  P  P12  1  0.025  0.681  0.254  1.0
  P  P13  1  0.319  0.344  0.254  1.0
  P  P14  1  0.656  0.975  0.254  1.0
  P  P15  1  0.344  0.025  0.746  1.0
  P  P16  1  0.681  0.656  0.746  1.0
  P  P17  1  0.975  0.319  0.746  1.0
  O  O18  1  0.144  0.950  0.703  1.0
  O  O19  1  0.115  0.717  0.054  1.0
  O  O20  1  0.156  0.707  0.421  1.0
  O  O21  1  0.372  0.862  0.741  1.0
  O  O22  1  0.138  0.510  0.741  1.0
  O  O23  1  0.050  0.193  0.703  1.0
  O  O24  1  0.551  0.844  0.421  1.0
  O  O25  1  0.293  0.449  0.421  1.0
  O  O26  1  0.193  0.144  0.297  1.0
  O  O27  1  0.283  0.398  0.054  1.0
  O  O28  1  0.602  0.885  0.054  1.0
  O  O29  1  0.490  0.628  0.741  1.0
  O  O30  1  0.510  0.372  0.259  1.0
  O  O31  1  0.398  0.115  0.946  1.0
  O  O32  1  0.717  0.602  0.946  1.0
  O  O33  1  0.807  0.856  0.703  1.0
  O  O34  1  0.707  0.551  0.579  1.0
  O  O35  1  0.449  0.156  0.579  1.0
  O  O36  1  0.950  0.807  0.297  1.0
  O  O37  1  0.862  0.490  0.259  1.0
  O  O38  1  0.628  0.138  0.259  1.0
  O  O39  1  0.844  0.293  0.579  1.0
  O  O40  1  0.885  0.283  0.946  1.0
  O  O41  1  0.856  0.050  0.297  1.0
[/CIF]
.