The crystal structure described by Li7Fe3Co(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 distorted rectangular see-saw-like geometry to one O(3), one O(8), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(6), one O(7), and two equivalent O(5) atoms. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to three equivalent O(3) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form FeO6 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(5) and three equivalent O(6) atoms to form 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(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(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(4), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-44°. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one P(1) atom. In the second O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one P(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Li(1), one Fe(2), and one P(1) atom. In the fifth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Fe(1), and one P(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the seventh O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Co(1), and one P(2) atom. In the eighth O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Fe(3), and one P(2) atom. is represented by the CIF card [CIF]
data_Li7Fe3Co(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.844
_cell_length_b   8.844
_cell_length_c   8.794
_cell_angle_alpha   90.000
_cell_angle_beta   59.812
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   484.906
_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  0.047  0.277  0.843  1.0
  Li  Li1  1  0.881  0.770  0.843  1.0
  Li  Li2  1  0.504  0.846  0.297  1.0
  Li  Li3  1  0.387  0.110  0.843  1.0
  Li  Li4  1  0.045  0.199  0.297  1.0
  Li  Li5  1  0.959  0.480  0.561  1.0
  Li  Li6  1  0.858  0.659  0.297  1.0
  Fe  Fe7  1  0.701  0.351  0.948  1.0
  Fe  Fe8  1  0.295  0.147  0.558  1.0
  Fe  Fe9  1  0.289  0.645  0.066  1.0
  Co  Co10  1  0.696  0.848  0.456  1.0
  P  P11  1  0.206  0.747  0.749  1.0
  P  P12  1  0.205  0.954  0.254  1.0
  P  P13  1  0.504  0.459  0.749  1.0
  P  P14  1  0.495  0.541  0.254  1.0
  P  P15  1  0.792  0.046  0.749  1.0
  P  P16  1  0.793  0.251  0.254  1.0
  O  O17  1  0.189  0.687  0.923  1.0
  O  O18  1  0.213  0.929  0.750  1.0
  O  O19  1  0.001  0.603  0.757  1.0
  O  O20  1  0.574  0.888  0.923  1.0
  O  O21  1  0.229  0.982  0.415  1.0
  O  O22  1  0.030  0.964  0.268  1.0
  O  O23  1  0.390  0.503  0.923  1.0
  O  O24  1  0.397  0.773  0.569  1.0
  O  O25  1  0.146  0.755  0.251  1.0
  O  O26  1  0.321  0.285  0.750  1.0
  O  O27  1  0.658  0.624  0.569  1.0
  O  O28  1  0.640  0.398  0.757  1.0
  O  O29  1  0.358  0.603  0.251  1.0
  O  O30  1  0.338  0.356  0.415  1.0
  O  O31  1  0.666  0.702  0.268  1.0
  O  O32  1  0.845  0.242  0.757  1.0
  O  O33  1  0.602  0.247  0.415  1.0
  O  O34  1  0.625  0.518  0.065  1.0
  O  O35  1  0.965  0.037  0.750  1.0
  O  O36  1  0.807  0.035  0.569  1.0
  O  O37  1  0.417  0.107  0.065  1.0
  O  O38  1  0.993  0.391  0.251  1.0
  O  O39  1  0.768  0.066  0.268  1.0
  O  O40  1  0.828  0.310  0.065  1.0
[/CIF]
.
The crystal structure described by Li7Fe3Co(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 distorted rectangular see-saw-like geometry to one O(3), one O(8), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(6), one O(7), and two equivalent O(5) atoms. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to three equivalent O(3) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form FeO6 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(5) and three equivalent O(6) atoms to form 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(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(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(4), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-44°. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one P(1) atom. In the second O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one P(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Li(1), one Fe(2), and one P(1) atom. In the fifth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Fe(1), and one P(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the seventh O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Co(1), and one P(2) atom. In the eighth O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Fe(3), and one P(2) atom. is represented by the CIF card [CIF]
data_Li7Fe3Co(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.844
_cell_length_b   8.844
_cell_length_c   8.794
_cell_angle_alpha   90.000
_cell_angle_beta   59.812
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   484.906
_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  0.047  0.277  0.843  1.0
  Li  Li1  1  0.881  0.770  0.843  1.0
  Li  Li2  1  0.504  0.846  0.297  1.0
  Li  Li3  1  0.387  0.110  0.843  1.0
  Li  Li4  1  0.045  0.199  0.297  1.0
  Li  Li5  1  0.959  0.480  0.561  1.0
  Li  Li6  1  0.858  0.659  0.297  1.0
  Fe  Fe7  1  0.701  0.351  0.948  1.0
  Fe  Fe8  1  0.295  0.147  0.558  1.0
  Fe  Fe9  1  0.289  0.645  0.066  1.0
  Co  Co10  1  0.696  0.848  0.456  1.0
  P  P11  1  0.206  0.747  0.749  1.0
  P  P12  1  0.205  0.954  0.254  1.0
  P  P13  1  0.504  0.459  0.749  1.0
  P  P14  1  0.495  0.541  0.254  1.0
  P  P15  1  0.792  0.046  0.749  1.0
  P  P16  1  0.793  0.251  0.254  1.0
  O  O17  1  0.189  0.687  0.923  1.0
  O  O18  1  0.213  0.929  0.750  1.0
  O  O19  1  0.001  0.603  0.757  1.0
  O  O20  1  0.574  0.888  0.923  1.0
  O  O21  1  0.229  0.982  0.415  1.0
  O  O22  1  0.030  0.964  0.268  1.0
  O  O23  1  0.390  0.503  0.923  1.0
  O  O24  1  0.397  0.773  0.569  1.0
  O  O25  1  0.146  0.755  0.251  1.0
  O  O26  1  0.321  0.285  0.750  1.0
  O  O27  1  0.658  0.624  0.569  1.0
  O  O28  1  0.640  0.398  0.757  1.0
  O  O29  1  0.358  0.603  0.251  1.0
  O  O30  1  0.338  0.356  0.415  1.0
  O  O31  1  0.666  0.702  0.268  1.0
  O  O32  1  0.845  0.242  0.757  1.0
  O  O33  1  0.602  0.247  0.415  1.0
  O  O34  1  0.625  0.518  0.065  1.0
  O  O35  1  0.965  0.037  0.750  1.0
  O  O36  1  0.807  0.035  0.569  1.0
  O  O37  1  0.417  0.107  0.065  1.0
  O  O38  1  0.993  0.391  0.251  1.0
  O  O39  1  0.768  0.066  0.268  1.0
  O  O40  1  0.828  0.310  0.065  1.0
[/CIF]
.