The material described by Li7Cr3Co(PO4)6 crystallizes in the trigonal R3 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(4), one O(5), one O(7), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(7), and two equivalent O(6) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(6) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. 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 and corners with three equivalent P(2)O4 tetrahedra. Co(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form distorted CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, 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,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-43°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-45°. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(2), and one P(2) atom. In the second O site, O(8) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one Cr(1), and one P(1) atom. In the fifth O site, O(3) is bonded to two equivalent Li(1), one Cr(3), and one P(1) atom to form edge-sharing OLi2CrP tetrahedra. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(1), and one P(1) atom. In the seventh O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(2) atom. In the eighth O site, O(6) is bonded to one Li(3), two equivalent Li(2), one Co(1), and one P(2) atom to form distorted face-sharing OLi3CoP square pyramids. is represented by the CIF card [CIF]
data_Li7Cr3Co(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.642
_cell_length_b   8.642
_cell_length_c   8.642
_cell_angle_alpha   61.188
_cell_angle_beta   61.188
_cell_angle_gamma   61.188
_symmetry_Int_Tables_number   1
_cell_volume   468.586
_cell_formula_units_Z   1
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  0.445  0.255  0.697  1.0
  Li  Li1  1  0.697  0.445  0.255  1.0
  Li  Li2  1  0.844  0.209  0.663  1.0
  Li  Li3  1  0.994  0.994  0.994  1.0
  Li  Li4  1  0.255  0.697  0.445  1.0
  Li  Li5  1  0.209  0.663  0.844  1.0
  Li  Li6  1  0.663  0.844  0.209  1.0
  Cr  Cr7  1  0.141  0.141  0.141  1.0
  Cr  Cr8  1  0.643  0.643  0.643  1.0
  Cr  Cr9  1  0.358  0.358  0.358  1.0
  Co  Co10  1  0.853  0.853  0.853  1.0
  P  P11  1  0.749  0.046  0.457  1.0
  P  P12  1  0.046  0.457  0.749  1.0
  P  P13  1  0.457  0.749  0.046  1.0
  P  P14  1  0.541  0.253  0.963  1.0
  P  P15  1  0.963  0.541  0.253  1.0
  P  P16  1  0.253  0.963  0.541  1.0
  O  O17  1  0.884  0.498  0.689  1.0
  O  O18  1  0.498  0.689  0.884  1.0
  O  O19  1  0.689  0.884  0.498  1.0
  O  O20  1  0.915  0.057  0.273  1.0
  O  O21  1  0.590  0.242  0.428  1.0
  O  O22  1  0.781  0.032  0.626  1.0
  O  O23  1  0.057  0.273  0.915  1.0
  O  O24  1  0.242  0.428  0.590  1.0
  O  O25  1  0.428  0.590  0.242  1.0
  O  O26  1  0.374  0.218  0.973  1.0
  O  O27  1  0.720  0.077  0.966  1.0
  O  O28  1  0.973  0.374  0.218  1.0
  O  O29  1  0.032  0.626  0.781  1.0
  O  O30  1  0.273  0.915  0.057  1.0
  O  O31  1  0.626  0.781  0.032  1.0
  O  O32  1  0.588  0.398  0.761  1.0
  O  O33  1  0.761  0.588  0.398  1.0
  O  O34  1  0.966  0.720  0.077  1.0
  O  O35  1  0.218  0.973  0.374  1.0
  O  O36  1  0.398  0.761  0.588  1.0
  O  O37  1  0.077  0.966  0.720  1.0
  O  O38  1  0.311  0.122  0.498  1.0
  O  O39  1  0.498  0.311  0.122  1.0
  O  O40  1  0.122  0.498  0.311  1.0
[/CIF]
.
The material described by Li7Cr3Co(PO4)6 crystallizes in the trigonal R3 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(4), one O(5), one O(7), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(7), and two equivalent O(6) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(6) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. 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 and corners with three equivalent P(2)O4 tetrahedra. Co(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form distorted CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, 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,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-43°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-45°. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(2), and one P(2) atom. In the second O site, O(8) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one Cr(1), and one P(1) atom. In the fifth O site, O(3) is bonded to two equivalent Li(1), one Cr(3), and one P(1) atom to form edge-sharing OLi2CrP tetrahedra. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(1), and one P(1) atom. In the seventh O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(2) atom. In the eighth O site, O(6) is bonded to one Li(3), two equivalent Li(2), one Co(1), and one P(2) atom to form distorted face-sharing OLi3CoP square pyramids. is represented by the CIF card [CIF]
data_Li7Cr3Co(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.642
_cell_length_b   8.642
_cell_length_c   8.642
_cell_angle_alpha   61.188
_cell_angle_beta   61.188
_cell_angle_gamma   61.188
_symmetry_Int_Tables_number   1
_cell_volume   468.586
_cell_formula_units_Z   1
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  0.445  0.255  0.697  1.0
  Li  Li1  1  0.697  0.445  0.255  1.0
  Li  Li2  1  0.844  0.209  0.663  1.0
  Li  Li3  1  0.994  0.994  0.994  1.0
  Li  Li4  1  0.255  0.697  0.445  1.0
  Li  Li5  1  0.209  0.663  0.844  1.0
  Li  Li6  1  0.663  0.844  0.209  1.0
  Cr  Cr7  1  0.141  0.141  0.141  1.0
  Cr  Cr8  1  0.643  0.643  0.643  1.0
  Cr  Cr9  1  0.358  0.358  0.358  1.0
  Co  Co10  1  0.853  0.853  0.853  1.0
  P  P11  1  0.749  0.046  0.457  1.0
  P  P12  1  0.046  0.457  0.749  1.0
  P  P13  1  0.457  0.749  0.046  1.0
  P  P14  1  0.541  0.253  0.963  1.0
  P  P15  1  0.963  0.541  0.253  1.0
  P  P16  1  0.253  0.963  0.541  1.0
  O  O17  1  0.884  0.498  0.689  1.0
  O  O18  1  0.498  0.689  0.884  1.0
  O  O19  1  0.689  0.884  0.498  1.0
  O  O20  1  0.915  0.057  0.273  1.0
  O  O21  1  0.590  0.242  0.428  1.0
  O  O22  1  0.781  0.032  0.626  1.0
  O  O23  1  0.057  0.273  0.915  1.0
  O  O24  1  0.242  0.428  0.590  1.0
  O  O25  1  0.428  0.590  0.242  1.0
  O  O26  1  0.374  0.218  0.973  1.0
  O  O27  1  0.720  0.077  0.966  1.0
  O  O28  1  0.973  0.374  0.218  1.0
  O  O29  1  0.032  0.626  0.781  1.0
  O  O30  1  0.273  0.915  0.057  1.0
  O  O31  1  0.626  0.781  0.032  1.0
  O  O32  1  0.588  0.398  0.761  1.0
  O  O33  1  0.761  0.588  0.398  1.0
  O  O34  1  0.966  0.720  0.077  1.0
  O  O35  1  0.218  0.973  0.374  1.0
  O  O36  1  0.398  0.761  0.588  1.0
  O  O37  1  0.077  0.966  0.720  1.0
  O  O38  1  0.311  0.122  0.498  1.0
  O  O39  1  0.498  0.311  0.122  1.0
  O  O40  1  0.122  0.498  0.311  1.0
[/CIF]
.