The structure described by Li2TiCo3(PO4)6 crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(7) atoms. Ti(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Co site, Co(3) is bonded to three equivalent O(7) and three equivalent O(8) 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(2), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-44°. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-43°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(2) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Co(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Co(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Co(3) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2TiCo3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.570
_cell_length_b   8.570
_cell_length_c   8.570
_cell_angle_alpha   59.929
_cell_angle_beta   59.929
_cell_angle_gamma   59.929
_symmetry_Int_Tables_number   1
_cell_volume   444.355
_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  0.991  0.991  0.991  1.0
  Li  Li1  1  0.497  0.497  0.497  1.0
  Ti  Ti2  1  0.142  0.142  0.142  1.0
  Co  Co3  1  0.855  0.855  0.855  1.0
  Co  Co4  1  0.643  0.643  0.643  1.0
  Co  Co5  1  0.357  0.357  0.357  1.0
  P  P6  1  0.250  0.540  0.964  1.0
  P  P7  1  0.964  0.250  0.540  1.0
  P  P8  1  0.540  0.964  0.250  1.0
  P  P9  1  0.460  0.045  0.743  1.0
  P  P10  1  0.045  0.743  0.460  1.0
  P  P11  1  0.743  0.460  0.045  1.0
  O  O12  1  0.694  0.495  0.878  1.0
  O  O13  1  0.495  0.878  0.694  1.0
  O  O14  1  0.086  0.735  0.941  1.0
  O  O15  1  0.878  0.694  0.495  1.0
  O  O16  1  0.418  0.553  0.772  1.0
  O  O17  1  0.192  0.377  0.005  1.0
  O  O18  1  0.941  0.086  0.735  1.0
  O  O19  1  0.772  0.418  0.553  1.0
  O  O20  1  0.553  0.772  0.418  1.0
  O  O21  1  0.624  0.013  0.794  1.0
  O  O22  1  0.268  0.067  0.910  1.0
  O  O23  1  0.013  0.794  0.624  1.0
  O  O24  1  0.005  0.192  0.377  1.0
  O  O25  1  0.735  0.941  0.086  1.0
  O  O26  1  0.377  0.005  0.192  1.0
  O  O27  1  0.444  0.238  0.573  1.0
  O  O28  1  0.238  0.573  0.444  1.0
  O  O29  1  0.067  0.910  0.268  1.0
  O  O30  1  0.794  0.624  0.013  1.0
  O  O31  1  0.573  0.444  0.238  1.0
  O  O32  1  0.131  0.297  0.511  1.0
  O  O33  1  0.910  0.268  0.067  1.0
  O  O34  1  0.511  0.131  0.297  1.0
  O  O35  1  0.297  0.511  0.131  1.0
[/CIF]
.
The structure described by Li2TiCo3(PO4)6 crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(7) atoms. Ti(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Co site, Co(3) is bonded to three equivalent O(7) and three equivalent O(8) 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(2), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-44°. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-43°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(2) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Co(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Co(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Co(3) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2TiCo3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.570
_cell_length_b   8.570
_cell_length_c   8.570
_cell_angle_alpha   59.929
_cell_angle_beta   59.929
_cell_angle_gamma   59.929
_symmetry_Int_Tables_number   1
_cell_volume   444.355
_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  0.991  0.991  0.991  1.0
  Li  Li1  1  0.497  0.497  0.497  1.0
  Ti  Ti2  1  0.142  0.142  0.142  1.0
  Co  Co3  1  0.855  0.855  0.855  1.0
  Co  Co4  1  0.643  0.643  0.643  1.0
  Co  Co5  1  0.357  0.357  0.357  1.0
  P  P6  1  0.250  0.540  0.964  1.0
  P  P7  1  0.964  0.250  0.540  1.0
  P  P8  1  0.540  0.964  0.250  1.0
  P  P9  1  0.460  0.045  0.743  1.0
  P  P10  1  0.045  0.743  0.460  1.0
  P  P11  1  0.743  0.460  0.045  1.0
  O  O12  1  0.694  0.495  0.878  1.0
  O  O13  1  0.495  0.878  0.694  1.0
  O  O14  1  0.086  0.735  0.941  1.0
  O  O15  1  0.878  0.694  0.495  1.0
  O  O16  1  0.418  0.553  0.772  1.0
  O  O17  1  0.192  0.377  0.005  1.0
  O  O18  1  0.941  0.086  0.735  1.0
  O  O19  1  0.772  0.418  0.553  1.0
  O  O20  1  0.553  0.772  0.418  1.0
  O  O21  1  0.624  0.013  0.794  1.0
  O  O22  1  0.268  0.067  0.910  1.0
  O  O23  1  0.013  0.794  0.624  1.0
  O  O24  1  0.005  0.192  0.377  1.0
  O  O25  1  0.735  0.941  0.086  1.0
  O  O26  1  0.377  0.005  0.192  1.0
  O  O27  1  0.444  0.238  0.573  1.0
  O  O28  1  0.238  0.573  0.444  1.0
  O  O29  1  0.067  0.910  0.268  1.0
  O  O30  1  0.794  0.624  0.013  1.0
  O  O31  1  0.573  0.444  0.238  1.0
  O  O32  1  0.131  0.297  0.511  1.0
  O  O33  1  0.910  0.268  0.067  1.0
  O  O34  1  0.511  0.131  0.297  1.0
  O  O35  1  0.297  0.511  0.131  1.0
[/CIF]
.