The material structure described by Li3Cr(PO4)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Cr(1)O6 octahedra, corners with five equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with three equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and corners with six equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 75°. Cr(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O4 trigonal pyramids, and edges with two equivalent Li(1)O5 trigonal bipyramids. 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 three equivalent Cr(1)O6 octahedra, corners with five equivalent Li(1)O5 trigonal bipyramids, and corners with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 37-62°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), and one P(1) atom to form distorted OLi3P trigonal pyramids that share corners with three equivalent O(1)Li3P trigonal pyramids and corners with five equivalent O(2)Li2CrP trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Cr(1), and one P(1) atom to form distorted OLi2CrP trigonal pyramids that share corners with two equivalent O(2)Li2CrP trigonal pyramids and corners with five equivalent O(1)Li3P trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Li3Cr(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.145
_cell_length_b   5.145
_cell_length_c   13.126
_cell_angle_alpha   83.032
_cell_angle_beta   83.032
_cell_angle_gamma   54.700
_symmetry_Int_Tables_number   1
_cell_volume   280.941
_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  0.629  0.704  0.351  1.0
  Li  Li1  1  0.056  0.944  0.750  1.0
  Li  Li2  1  0.944  0.056  0.250  1.0
  Li  Li3  1  0.704  0.629  0.851  1.0
  Li  Li4  1  0.296  0.371  0.149  1.0
  Li  Li5  1  0.371  0.296  0.649  1.0
  Cr  Cr6  1  0.000  0.000  0.000  1.0
  Cr  Cr7  1  0.000  0.000  0.500  1.0
  P  P8  1  0.682  0.638  0.612  1.0
  P  P9  1  0.318  0.362  0.388  1.0
  P  P10  1  0.638  0.682  0.112  1.0
  P  P11  1  0.362  0.318  0.888  1.0
  O  O12  1  0.506  0.813  0.711  1.0
  O  O13  1  0.731  0.172  0.871  1.0
  O  O14  1  0.269  0.828  0.129  1.0
  O  O15  1  0.777  0.451  0.026  1.0
  O  O16  1  0.828  0.269  0.629  1.0
  O  O17  1  0.451  0.777  0.526  1.0
  O  O18  1  0.172  0.731  0.371  1.0
  O  O19  1  0.033  0.331  0.416  1.0
  O  O20  1  0.813  0.506  0.211  1.0
  O  O21  1  0.331  0.033  0.916  1.0
  O  O22  1  0.669  0.967  0.084  1.0
  O  O23  1  0.494  0.187  0.289  1.0
  O  O24  1  0.967  0.669  0.584  1.0
  O  O25  1  0.187  0.494  0.789  1.0
  O  O26  1  0.549  0.223  0.474  1.0
  O  O27  1  0.223  0.549  0.974  1.0
[/CIF]
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The material structure described by Li3Cr(PO4)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Cr(1)O6 octahedra, corners with five equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with three equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and corners with six equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 75°. Cr(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O4 trigonal pyramids, and edges with two equivalent Li(1)O5 trigonal bipyramids. 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 three equivalent Cr(1)O6 octahedra, corners with five equivalent Li(1)O5 trigonal bipyramids, and corners with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 37-62°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), and one P(1) atom to form distorted OLi3P trigonal pyramids that share corners with three equivalent O(1)Li3P trigonal pyramids and corners with five equivalent O(2)Li2CrP trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Cr(1), and one P(1) atom to form distorted OLi2CrP trigonal pyramids that share corners with two equivalent O(2)Li2CrP trigonal pyramids and corners with five equivalent O(1)Li3P trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Li3Cr(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.145
_cell_length_b   5.145
_cell_length_c   13.126
_cell_angle_alpha   83.032
_cell_angle_beta   83.032
_cell_angle_gamma   54.700
_symmetry_Int_Tables_number   1
_cell_volume   280.941
_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  0.629  0.704  0.351  1.0
  Li  Li1  1  0.056  0.944  0.750  1.0
  Li  Li2  1  0.944  0.056  0.250  1.0
  Li  Li3  1  0.704  0.629  0.851  1.0
  Li  Li4  1  0.296  0.371  0.149  1.0
  Li  Li5  1  0.371  0.296  0.649  1.0
  Cr  Cr6  1  0.000  0.000  0.000  1.0
  Cr  Cr7  1  0.000  0.000  0.500  1.0
  P  P8  1  0.682  0.638  0.612  1.0
  P  P9  1  0.318  0.362  0.388  1.0
  P  P10  1  0.638  0.682  0.112  1.0
  P  P11  1  0.362  0.318  0.888  1.0
  O  O12  1  0.506  0.813  0.711  1.0
  O  O13  1  0.731  0.172  0.871  1.0
  O  O14  1  0.269  0.828  0.129  1.0
  O  O15  1  0.777  0.451  0.026  1.0
  O  O16  1  0.828  0.269  0.629  1.0
  O  O17  1  0.451  0.777  0.526  1.0
  O  O18  1  0.172  0.731  0.371  1.0
  O  O19  1  0.033  0.331  0.416  1.0
  O  O20  1  0.813  0.506  0.211  1.0
  O  O21  1  0.331  0.033  0.916  1.0
  O  O22  1  0.669  0.967  0.084  1.0
  O  O23  1  0.494  0.187  0.289  1.0
  O  O24  1  0.967  0.669  0.584  1.0
  O  O25  1  0.187  0.494  0.789  1.0
  O  O26  1  0.549  0.223  0.474  1.0
  O  O27  1  0.223  0.549  0.974  1.0
[/CIF]
.