The structure described by Li3Co3(PO4)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(12), one O(13), one O(14), and one O(2) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 58°. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(16), one O(6), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one P(4)O4 tetrahedra, and  an edgeedge with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 57°. In the third Li site, Li(3) is bonded to one O(1), one O(15), one O(2), one O(4), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 56°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(13), one O(16), one O(3), one O(4), one O(8), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Co(2)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(11), one O(3), one O(5), one O(6), and one O(9) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one P(3)O4 tetrahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 55°. In the third Co site, Co(3) is bonded to one O(10), one O(12), one O(14), one O(15), one O(5), and one O(7) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(12), one O(13), and one O(14) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 31-46°. In the second P site, P(2) is bonded to one O(15), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-50°. In the third P site, P(3) is bonded to one O(1), one O(3), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-57°. In the fourth P site, P(4) is bonded to one O(10), one O(16), one O(2), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-51°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one P(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one P(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(3), one Co(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Co(2), one Co(3), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Li(3), one Co(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(3), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Co(3), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a T-shaped geometry to one Li(1), one Co(3), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(3), and one P(2) atom. In the sixteenth O site, O(16) is bonded in a T-shaped geometry to one Li(2), one Co(1), and one P(4) atom. is represented by the CIF card [CIF]
data_Li3Co3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.081
_cell_length_b   7.684
_cell_length_c   8.017
_cell_angle_alpha   87.901
_cell_angle_beta   89.098
_cell_angle_gamma   85.691
_symmetry_Int_Tables_number   1
_cell_volume   311.868
_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  0.089  0.403  0.863  1.0
  Li  Li1  1  0.602  0.896  0.638  1.0
  Li  Li2  1  0.912  0.596  0.141  1.0
  Co  Co3  1  0.484  0.989  0.979  1.0
  Co  Co4  1  0.406  0.100  0.358  1.0
  Co  Co5  1  0.999  0.523  0.513  1.0
  P  P6  1  0.535  0.304  0.689  1.0
  P  P7  1  0.464  0.701  0.307  1.0
  P  P8  1  0.965  0.197  0.193  1.0
  P  P9  1  0.032  0.799  0.809  1.0
  O  O10  1  0.939  0.353  0.076  1.0
  O  O11  1  0.055  0.644  0.929  1.0
  O  O12  1  0.184  0.052  0.143  1.0
  O  O13  1  0.538  0.764  0.128  1.0
  O  O14  1  0.070  0.239  0.371  1.0
  O  O15  1  0.441  0.858  0.426  1.0
  O  O16  1  0.688  0.566  0.366  1.0
  O  O17  1  0.302  0.887  0.801  1.0
  O  O18  1  0.694  0.112  0.209  1.0
  O  O19  1  0.954  0.748  0.629  1.0
  O  O20  1  0.548  0.150  0.567  1.0
  O  O21  1  0.808  0.383  0.684  1.0
  O  O22  1  0.460  0.232  0.867  1.0
  O  O23  1  0.317  0.448  0.643  1.0
  O  O24  1  0.197  0.614  0.317  1.0
  O  O25  1  0.816  0.943  0.856  1.0
[/CIF]
.
The structure described by Li3Co3(PO4)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(12), one O(13), one O(14), and one O(2) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 58°. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(16), one O(6), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one P(4)O4 tetrahedra, and  an edgeedge with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 57°. In the third Li site, Li(3) is bonded to one O(1), one O(15), one O(2), one O(4), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 56°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(13), one O(16), one O(3), one O(4), one O(8), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Co(2)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(11), one O(3), one O(5), one O(6), and one O(9) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one P(3)O4 tetrahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 55°. In the third Co site, Co(3) is bonded to one O(10), one O(12), one O(14), one O(15), one O(5), and one O(7) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(12), one O(13), and one O(14) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 31-46°. In the second P site, P(2) is bonded to one O(15), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-50°. In the third P site, P(3) is bonded to one O(1), one O(3), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-57°. In the fourth P site, P(4) is bonded to one O(10), one O(16), one O(2), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-51°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one P(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one P(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(3), one Co(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Co(2), one Co(3), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Li(3), one Co(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(3), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Co(3), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a T-shaped geometry to one Li(1), one Co(3), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(3), and one P(2) atom. In the sixteenth O site, O(16) is bonded in a T-shaped geometry to one Li(2), one Co(1), and one P(4) atom. is represented by the CIF card [CIF]
data_Li3Co3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.081
_cell_length_b   7.684
_cell_length_c   8.017
_cell_angle_alpha   87.901
_cell_angle_beta   89.098
_cell_angle_gamma   85.691
_symmetry_Int_Tables_number   1
_cell_volume   311.868
_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  0.089  0.403  0.863  1.0
  Li  Li1  1  0.602  0.896  0.638  1.0
  Li  Li2  1  0.912  0.596  0.141  1.0
  Co  Co3  1  0.484  0.989  0.979  1.0
  Co  Co4  1  0.406  0.100  0.358  1.0
  Co  Co5  1  0.999  0.523  0.513  1.0
  P  P6  1  0.535  0.304  0.689  1.0
  P  P7  1  0.464  0.701  0.307  1.0
  P  P8  1  0.965  0.197  0.193  1.0
  P  P9  1  0.032  0.799  0.809  1.0
  O  O10  1  0.939  0.353  0.076  1.0
  O  O11  1  0.055  0.644  0.929  1.0
  O  O12  1  0.184  0.052  0.143  1.0
  O  O13  1  0.538  0.764  0.128  1.0
  O  O14  1  0.070  0.239  0.371  1.0
  O  O15  1  0.441  0.858  0.426  1.0
  O  O16  1  0.688  0.566  0.366  1.0
  O  O17  1  0.302  0.887  0.801  1.0
  O  O18  1  0.694  0.112  0.209  1.0
  O  O19  1  0.954  0.748  0.629  1.0
  O  O20  1  0.548  0.150  0.567  1.0
  O  O21  1  0.808  0.383  0.684  1.0
  O  O22  1  0.460  0.232  0.867  1.0
  O  O23  1  0.317  0.448  0.643  1.0
  O  O24  1  0.197  0.614  0.317  1.0
  O  O25  1  0.816  0.943  0.856  1.0
[/CIF]
.