The compound described by Li3Cr(PO4)2 crystallizes in the trigonal R3 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(8), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(5), one O(6), and two equivalent O(1) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(6) atoms. In the fourth Li site, Li(4) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Cr(2)O6 octahedra. In the fifth Li site, Li(5) is bonded to three equivalent O(5) and three equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Cr(1)O6 octahedra, and  a faceface with one Cr(3)O6 octahedra. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(5) and three equivalent O(7) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Li(5)O6 octahedra. In the second Cr site, Cr(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Li(4)O6 octahedra. In the third Cr site, Cr(3) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Li(5)O6 octahedra. 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  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, and  a cornercorner with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-45°. In the second P site, P(2) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, and  a cornercorner with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-46°. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one Li(3), and one P(2) atom. In the second O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the third O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Cr(3), and one P(2) atom. In the fourth O site, O(1) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), two equivalent Li(2), and one P(1) atom. In the fifth O site, O(2) is bonded in a 5-coordinate geometry to one Li(4), two equivalent Li(1), one Cr(2), and one P(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Cr(3), and one P(1) atom. In the seventh O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cr(2), and one P(1) atom. In the eighth O site, O(5) is bonded to one Li(2), one Li(5), one Cr(1), and one P(1) atom to form distorted edge-sharing OLi2CrP trigonal pyramids. is represented by the CIF file [CIF]
data_Li3Cr(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.421
_cell_length_b   8.421
_cell_length_c   8.421
_cell_angle_alpha   63.674
_cell_angle_beta   63.674
_cell_angle_gamma   63.674
_symmetry_Int_Tables_number   1
_cell_volume   456.584
_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  0.850  0.244  0.653  1.0
  Li  Li1  1  0.805  0.326  0.142  1.0
  Li  Li2  1  0.326  0.142  0.805  1.0
  Li  Li3  1  0.152  0.152  0.152  1.0
  Li  Li4  1  0.009  0.009  0.009  1.0
  Li  Li5  1  0.498  0.498  0.498  1.0
  Li  Li6  1  0.653  0.850  0.244  1.0
  Li  Li7  1  0.244  0.653  0.850  1.0
  Li  Li8  1  0.142  0.805  0.326  1.0
  Cr  Cr9  1  0.357  0.357  0.357  1.0
  Cr  Cr10  1  0.857  0.857  0.857  1.0
  Cr  Cr11  1  0.642  0.642  0.642  1.0
  P  P12  1  0.745  0.046  0.454  1.0
  P  P13  1  0.950  0.548  0.247  1.0
  P  P14  1  0.548  0.247  0.950  1.0
  P  P15  1  0.454  0.745  0.046  1.0
  P  P16  1  0.046  0.454  0.745  1.0
  P  P17  1  0.247  0.950  0.548  1.0
  O  O18  1  0.903  0.051  0.268  1.0
  O  O19  1  0.745  0.091  0.933  1.0
  O  O20  1  0.889  0.495  0.672  1.0
  O  O21  1  0.019  0.617  0.803  1.0
  O  O22  1  0.593  0.242  0.430  1.0
  O  O23  1  0.392  0.189  0.972  1.0
  O  O24  1  0.304  0.115  0.516  1.0
  O  O25  1  0.754  0.579  0.402  1.0
  O  O26  1  0.933  0.745  0.091  1.0
  O  O27  1  0.189  0.972  0.392  1.0
  O  O28  1  0.516  0.304  0.115  1.0
  O  O29  1  0.579  0.402  0.754  1.0
  O  O30  1  0.430  0.593  0.242  1.0
  O  O31  1  0.495  0.672  0.889  1.0
  O  O32  1  0.803  0.019  0.617  1.0
  O  O33  1  0.242  0.430  0.593  1.0
  O  O34  1  0.051  0.268  0.903  1.0
  O  O35  1  0.617  0.803  0.019  1.0
  O  O36  1  0.672  0.889  0.495  1.0
  O  O37  1  0.402  0.754  0.579  1.0
  O  O38  1  0.972  0.392  0.189  1.0
  O  O39  1  0.115  0.516  0.304  1.0
  O  O40  1  0.268  0.903  0.051  1.0
  O  O41  1  0.091  0.933  0.745  1.0
[/CIF]
.
The compound described by Li3Cr(PO4)2 crystallizes in the trigonal R3 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(8), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(5), one O(6), and two equivalent O(1) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(6) atoms. In the fourth Li site, Li(4) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Cr(2)O6 octahedra. In the fifth Li site, Li(5) is bonded to three equivalent O(5) and three equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Cr(1)O6 octahedra, and  a faceface with one Cr(3)O6 octahedra. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(5) and three equivalent O(7) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Li(5)O6 octahedra. In the second Cr site, Cr(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Li(4)O6 octahedra. In the third Cr site, Cr(3) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Li(5)O6 octahedra. 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  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, and  a cornercorner with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-45°. In the second P site, P(2) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, and  a cornercorner with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-46°. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one Li(3), and one P(2) atom. In the second O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the third O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Cr(3), and one P(2) atom. In the fourth O site, O(1) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), two equivalent Li(2), and one P(1) atom. In the fifth O site, O(2) is bonded in a 5-coordinate geometry to one Li(4), two equivalent Li(1), one Cr(2), and one P(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Cr(3), and one P(1) atom. In the seventh O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cr(2), and one P(1) atom. In the eighth O site, O(5) is bonded to one Li(2), one Li(5), one Cr(1), and one P(1) atom to form distorted edge-sharing OLi2CrP trigonal pyramids. is represented by the CIF file [CIF]
data_Li3Cr(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.421
_cell_length_b   8.421
_cell_length_c   8.421
_cell_angle_alpha   63.674
_cell_angle_beta   63.674
_cell_angle_gamma   63.674
_symmetry_Int_Tables_number   1
_cell_volume   456.584
_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  0.850  0.244  0.653  1.0
  Li  Li1  1  0.805  0.326  0.142  1.0
  Li  Li2  1  0.326  0.142  0.805  1.0
  Li  Li3  1  0.152  0.152  0.152  1.0
  Li  Li4  1  0.009  0.009  0.009  1.0
  Li  Li5  1  0.498  0.498  0.498  1.0
  Li  Li6  1  0.653  0.850  0.244  1.0
  Li  Li7  1  0.244  0.653  0.850  1.0
  Li  Li8  1  0.142  0.805  0.326  1.0
  Cr  Cr9  1  0.357  0.357  0.357  1.0
  Cr  Cr10  1  0.857  0.857  0.857  1.0
  Cr  Cr11  1  0.642  0.642  0.642  1.0
  P  P12  1  0.745  0.046  0.454  1.0
  P  P13  1  0.950  0.548  0.247  1.0
  P  P14  1  0.548  0.247  0.950  1.0
  P  P15  1  0.454  0.745  0.046  1.0
  P  P16  1  0.046  0.454  0.745  1.0
  P  P17  1  0.247  0.950  0.548  1.0
  O  O18  1  0.903  0.051  0.268  1.0
  O  O19  1  0.745  0.091  0.933  1.0
  O  O20  1  0.889  0.495  0.672  1.0
  O  O21  1  0.019  0.617  0.803  1.0
  O  O22  1  0.593  0.242  0.430  1.0
  O  O23  1  0.392  0.189  0.972  1.0
  O  O24  1  0.304  0.115  0.516  1.0
  O  O25  1  0.754  0.579  0.402  1.0
  O  O26  1  0.933  0.745  0.091  1.0
  O  O27  1  0.189  0.972  0.392  1.0
  O  O28  1  0.516  0.304  0.115  1.0
  O  O29  1  0.579  0.402  0.754  1.0
  O  O30  1  0.430  0.593  0.242  1.0
  O  O31  1  0.495  0.672  0.889  1.0
  O  O32  1  0.803  0.019  0.617  1.0
  O  O33  1  0.242  0.430  0.593  1.0
  O  O34  1  0.051  0.268  0.903  1.0
  O  O35  1  0.617  0.803  0.019  1.0
  O  O36  1  0.672  0.889  0.495  1.0
  O  O37  1  0.402  0.754  0.579  1.0
  O  O38  1  0.972  0.392  0.189  1.0
  O  O39  1  0.115  0.516  0.304  1.0
  O  O40  1  0.268  0.903  0.051  1.0
  O  O41  1  0.091  0.933  0.745  1.0
[/CIF]
.