The crystal structure described by Li4Co(PO4)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-68°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(1) atoms. Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, and edges with two equivalent P(1)O4 tetrahedra. 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 Co(1)O6 octahedra, corners with four equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(2), one Co(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2CoP trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one P(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Co(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2CoP trigonal pyramids. In the fourth 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. is represented by the CIF card [CIF]
data_Li4Co(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.835
_cell_length_b   5.327
_cell_length_c   6.219
_cell_angle_alpha   83.783
_cell_angle_beta   85.724
_cell_angle_gamma   99.370
_symmetry_Int_Tables_number   1
_cell_volume   156.420
_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
  Co  Co0  1  1.000  0.000  1.000  1.0
  Li  Li1  1  0.827  0.710  0.525  1.0
  Li  Li2  1  0.173  0.290  0.475  1.0
  Li  Li3  1  0.739  0.438  0.186  1.0
  Li  Li4  1  0.261  0.562  0.814  1.0
  O  O5  1  0.805  0.322  0.904  1.0
  O  O6  1  0.195  0.678  0.096  1.0
  O  O7  1  0.757  0.325  0.500  1.0
  O  O8  1  0.243  0.675  0.500  1.0
  O  O9  1  0.677  0.810  0.238  1.0
  O  O10  1  0.323  0.190  0.762  1.0
  O  O11  1  0.717  0.906  0.754  1.0
  O  O12  1  0.283  0.094  0.246  1.0
  P  P13  1  0.645  0.182  0.728  1.0
  P  P14  1  0.355  0.818  0.272  1.0
[/CIF]
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The crystal structure described by Li4Co(PO4)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-68°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(1) atoms. Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, and edges with two equivalent P(1)O4 tetrahedra. 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 Co(1)O6 octahedra, corners with four equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(2), one Co(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2CoP trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one P(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Co(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2CoP trigonal pyramids. In the fourth 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. is represented by the CIF card [CIF]
data_Li4Co(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.835
_cell_length_b   5.327
_cell_length_c   6.219
_cell_angle_alpha   83.783
_cell_angle_beta   85.724
_cell_angle_gamma   99.370
_symmetry_Int_Tables_number   1
_cell_volume   156.420
_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
  Co  Co0  1  1.000  0.000  1.000  1.0
  Li  Li1  1  0.827  0.710  0.525  1.0
  Li  Li2  1  0.173  0.290  0.475  1.0
  Li  Li3  1  0.739  0.438  0.186  1.0
  Li  Li4  1  0.261  0.562  0.814  1.0
  O  O5  1  0.805  0.322  0.904  1.0
  O  O6  1  0.195  0.678  0.096  1.0
  O  O7  1  0.757  0.325  0.500  1.0
  O  O8  1  0.243  0.675  0.500  1.0
  O  O9  1  0.677  0.810  0.238  1.0
  O  O10  1  0.323  0.190  0.762  1.0
  O  O11  1  0.717  0.906  0.754  1.0
  O  O12  1  0.283  0.094  0.246  1.0
  P  P13  1  0.645  0.182  0.728  1.0
  P  P14  1  0.355  0.818  0.272  1.0
[/CIF]
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