The material described by Li2Cr(PO4)2 crystallizes in the monoclinic P2_1/c 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(3), two equivalent O(2), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded to one O(6), one O(7), one O(8), and two equivalent O(4) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. Cr(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted CrO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two equivalent Li(2)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-52°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-54°. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(2) atom. In the second O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Cr(1), and one P(2) atom. In the third O site, O(1) 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(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Cr(1) atom. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to one Li(1), one P(1), and one P(2) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Cr(1), and one P(1) atom. In the seventh O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the eighth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), two equivalent Li(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2Cr(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.455
_cell_length_b   6.253
_cell_length_c   7.466
_cell_angle_alpha   82.146
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   576.038
_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  0.225  0.366  0.058  1.0
  Li  Li1  1  0.275  0.866  0.058  1.0
  Li  Li2  1  0.624  0.054  0.543  1.0
  Li  Li3  1  0.124  0.446  0.457  1.0
  Li  Li4  1  0.876  0.554  0.543  1.0
  Li  Li5  1  0.376  0.946  0.457  1.0
  Li  Li6  1  0.725  0.134  0.942  1.0
  Li  Li7  1  0.775  0.634  0.942  1.0
  Cr  Cr8  1  0.924  0.244  0.229  1.0
  Cr  Cr9  1  0.576  0.744  0.229  1.0
  Cr  Cr10  1  0.424  0.256  0.771  1.0
  Cr  Cr11  1  0.076  0.756  0.771  1.0
  P  P12  1  0.530  0.260  0.170  1.0
  P  P13  1  0.970  0.760  0.170  1.0
  P  P14  1  0.358  0.462  0.363  1.0
  P  P15  1  0.142  0.962  0.363  1.0
  P  P16  1  0.858  0.038  0.637  1.0
  P  P17  1  0.642  0.538  0.637  1.0
  P  P18  1  0.030  0.240  0.830  1.0
  P  P19  1  0.470  0.740  0.830  1.0
  O  O20  1  0.035  0.273  0.030  1.0
  O  O21  1  0.465  0.773  0.030  1.0
  O  O22  1  0.817  0.329  0.090  1.0
  O  O23  1  0.683  0.829  0.090  1.0
  O  O24  1  0.410  0.334  0.207  1.0
  O  O25  1  0.546  0.046  0.297  1.0
  O  O26  1  0.606  0.433  0.216  1.0
  O  O27  1  0.254  0.011  0.287  1.0
  O  O28  1  0.090  0.834  0.207  1.0
  O  O29  1  0.954  0.546  0.297  1.0
  O  O30  1  0.894  0.933  0.216  1.0
  O  O31  1  0.246  0.511  0.287  1.0
  O  O32  1  0.071  0.158  0.380  1.0
  O  O33  1  0.429  0.658  0.380  1.0
  O  O34  1  0.854  0.208  0.466  1.0
  O  O35  1  0.646  0.708  0.466  1.0
  O  O36  1  0.354  0.292  0.534  1.0
  O  O37  1  0.146  0.792  0.534  1.0
  O  O38  1  0.571  0.342  0.620  1.0
  O  O39  1  0.929  0.842  0.620  1.0
  O  O40  1  0.754  0.489  0.713  1.0
  O  O41  1  0.106  0.067  0.784  1.0
  O  O42  1  0.046  0.454  0.703  1.0
  O  O43  1  0.910  0.166  0.793  1.0
  O  O44  1  0.746  0.989  0.713  1.0
  O  O45  1  0.394  0.567  0.784  1.0
  O  O46  1  0.454  0.954  0.703  1.0
  O  O47  1  0.590  0.666  0.793  1.0
  O  O48  1  0.317  0.171  0.910  1.0
  O  O49  1  0.183  0.671  0.910  1.0
  O  O50  1  0.535  0.227  0.970  1.0
  O  O51  1  0.965  0.727  0.970  1.0
[/CIF]
.
The material described by Li2Cr(PO4)2 crystallizes in the monoclinic P2_1/c 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(3), two equivalent O(2), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded to one O(6), one O(7), one O(8), and two equivalent O(4) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. Cr(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted CrO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two equivalent Li(2)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-52°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-54°. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(2) atom. In the second O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Cr(1), and one P(2) atom. In the third O site, O(1) 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(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Cr(1) atom. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to one Li(1), one P(1), and one P(2) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Cr(1), and one P(1) atom. In the seventh O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the eighth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), two equivalent Li(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2Cr(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.455
_cell_length_b   6.253
_cell_length_c   7.466
_cell_angle_alpha   82.146
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   576.038
_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  0.225  0.366  0.058  1.0
  Li  Li1  1  0.275  0.866  0.058  1.0
  Li  Li2  1  0.624  0.054  0.543  1.0
  Li  Li3  1  0.124  0.446  0.457  1.0
  Li  Li4  1  0.876  0.554  0.543  1.0
  Li  Li5  1  0.376  0.946  0.457  1.0
  Li  Li6  1  0.725  0.134  0.942  1.0
  Li  Li7  1  0.775  0.634  0.942  1.0
  Cr  Cr8  1  0.924  0.244  0.229  1.0
  Cr  Cr9  1  0.576  0.744  0.229  1.0
  Cr  Cr10  1  0.424  0.256  0.771  1.0
  Cr  Cr11  1  0.076  0.756  0.771  1.0
  P  P12  1  0.530  0.260  0.170  1.0
  P  P13  1  0.970  0.760  0.170  1.0
  P  P14  1  0.358  0.462  0.363  1.0
  P  P15  1  0.142  0.962  0.363  1.0
  P  P16  1  0.858  0.038  0.637  1.0
  P  P17  1  0.642  0.538  0.637  1.0
  P  P18  1  0.030  0.240  0.830  1.0
  P  P19  1  0.470  0.740  0.830  1.0
  O  O20  1  0.035  0.273  0.030  1.0
  O  O21  1  0.465  0.773  0.030  1.0
  O  O22  1  0.817  0.329  0.090  1.0
  O  O23  1  0.683  0.829  0.090  1.0
  O  O24  1  0.410  0.334  0.207  1.0
  O  O25  1  0.546  0.046  0.297  1.0
  O  O26  1  0.606  0.433  0.216  1.0
  O  O27  1  0.254  0.011  0.287  1.0
  O  O28  1  0.090  0.834  0.207  1.0
  O  O29  1  0.954  0.546  0.297  1.0
  O  O30  1  0.894  0.933  0.216  1.0
  O  O31  1  0.246  0.511  0.287  1.0
  O  O32  1  0.071  0.158  0.380  1.0
  O  O33  1  0.429  0.658  0.380  1.0
  O  O34  1  0.854  0.208  0.466  1.0
  O  O35  1  0.646  0.708  0.466  1.0
  O  O36  1  0.354  0.292  0.534  1.0
  O  O37  1  0.146  0.792  0.534  1.0
  O  O38  1  0.571  0.342  0.620  1.0
  O  O39  1  0.929  0.842  0.620  1.0
  O  O40  1  0.754  0.489  0.713  1.0
  O  O41  1  0.106  0.067  0.784  1.0
  O  O42  1  0.046  0.454  0.703  1.0
  O  O43  1  0.910  0.166  0.793  1.0
  O  O44  1  0.746  0.989  0.713  1.0
  O  O45  1  0.394  0.567  0.784  1.0
  O  O46  1  0.454  0.954  0.703  1.0
  O  O47  1  0.590  0.666  0.793  1.0
  O  O48  1  0.317  0.171  0.910  1.0
  O  O49  1  0.183  0.671  0.910  1.0
  O  O50  1  0.535  0.227  0.970  1.0
  O  O51  1  0.965  0.727  0.970  1.0
[/CIF]
.