The structure described by LiCoPHO5 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(5) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-63°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and corners with four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-55°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one Co(1), one Co(2), and one H(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to 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(1), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Co(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Co(2), and one P(1) atom. is represented by the CIF file [CIF]
data_LiCoPHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.079
_cell_length_b   5.286
_cell_length_c   7.041
_cell_angle_alpha   106.935
_cell_angle_beta   108.788
_cell_angle_gamma   98.366
_symmetry_Int_Tables_number   1
_cell_volume   165.115
_cell_formula_units_Z   2
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  0.744  0.394  0.822  1.0
  Li  Li1  1  0.256  0.606  0.178  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.678  0.352  0.235  1.0
  P  P5  1  0.322  0.648  0.765  1.0
  H  H6  1  0.346  0.070  0.346  1.0
  H  H7  1  0.654  0.930  0.654  1.0
  O  O8  1  0.855  0.048  0.727  1.0
  O  O9  1  0.724  0.198  0.394  1.0
  O  O10  1  0.302  0.340  0.657  1.0
  O  O11  1  0.363  0.243  0.067  1.0
  O  O12  1  0.891  0.330  0.116  1.0
  O  O13  1  0.109  0.670  0.884  1.0
  O  O14  1  0.637  0.757  0.933  1.0
  O  O15  1  0.698  0.660  0.343  1.0
  O  O16  1  0.276  0.802  0.606  1.0
  O  O17  1  0.145  0.952  0.273  1.0
[/CIF]
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The structure described by LiCoPHO5 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(5) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-63°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and corners with four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-55°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one Co(1), one Co(2), and one H(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to 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(1), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Co(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Co(2), and one P(1) atom. is represented by the CIF file [CIF]
data_LiCoPHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.079
_cell_length_b   5.286
_cell_length_c   7.041
_cell_angle_alpha   106.935
_cell_angle_beta   108.788
_cell_angle_gamma   98.366
_symmetry_Int_Tables_number   1
_cell_volume   165.115
_cell_formula_units_Z   2
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  0.744  0.394  0.822  1.0
  Li  Li1  1  0.256  0.606  0.178  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.678  0.352  0.235  1.0
  P  P5  1  0.322  0.648  0.765  1.0
  H  H6  1  0.346  0.070  0.346  1.0
  H  H7  1  0.654  0.930  0.654  1.0
  O  O8  1  0.855  0.048  0.727  1.0
  O  O9  1  0.724  0.198  0.394  1.0
  O  O10  1  0.302  0.340  0.657  1.0
  O  O11  1  0.363  0.243  0.067  1.0
  O  O12  1  0.891  0.330  0.116  1.0
  O  O13  1  0.109  0.670  0.884  1.0
  O  O14  1  0.637  0.757  0.933  1.0
  O  O15  1  0.698  0.660  0.343  1.0
  O  O16  1  0.276  0.802  0.606  1.0
  O  O17  1  0.145  0.952  0.273  1.0
[/CIF]
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