The structure described by LiCoPO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and one O(8) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(5), one O(6), two equivalent O(4), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the second Co site, Co(2) is bonded to one O(5), one O(6), two equivalent O(3), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Li(1) and one P(2) atom. In the second O site, O(2) is bonded in a linear geometry to one Li(2) and one P(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Co(2), and one P(1) atom to form distorted edge-sharing OLiCo2P trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Co(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Co(1), one Co(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Co(1), one Co(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Co(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Co(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.821
_cell_length_b   4.877
_cell_length_c   8.377
_cell_angle_alpha   90.424
_cell_angle_beta   106.575
_cell_angle_gamma   119.483
_symmetry_Int_Tables_number   1
_cell_volume   161.748
_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
  Co  Co0  1  0.742  0.865  0.619  1.0
  Co  Co1  1  0.107  0.560  0.654  1.0
  Li  Li2  1  0.991  0.996  0.985  1.0
  Li  Li3  1  0.858  0.428  0.288  1.0
  O  O4  1  0.702  0.352  0.054  1.0
  O  O5  1  0.147  0.072  0.220  1.0
  O  O6  1  0.293  0.452  0.477  1.0
  O  O7  1  0.216  0.246  0.793  1.0
  O  O8  1  0.556  0.972  0.797  1.0
  O  O9  1  0.019  0.845  0.477  1.0
  O  O10  1  0.632  0.178  0.480  1.0
  O  O11  1  0.829  0.580  0.797  1.0
  P  P12  1  0.272  0.135  0.410  1.0
  P  P13  1  0.577  0.289  0.864  1.0
[/CIF]
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The structure described by LiCoPO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and one O(8) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(5), one O(6), two equivalent O(4), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the second Co site, Co(2) is bonded to one O(5), one O(6), two equivalent O(3), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Li(1) and one P(2) atom. In the second O site, O(2) is bonded in a linear geometry to one Li(2) and one P(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Co(2), and one P(1) atom to form distorted edge-sharing OLiCo2P trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Co(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Co(1), one Co(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Co(1), one Co(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Co(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Co(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.821
_cell_length_b   4.877
_cell_length_c   8.377
_cell_angle_alpha   90.424
_cell_angle_beta   106.575
_cell_angle_gamma   119.483
_symmetry_Int_Tables_number   1
_cell_volume   161.748
_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
  Co  Co0  1  0.742  0.865  0.619  1.0
  Co  Co1  1  0.107  0.560  0.654  1.0
  Li  Li2  1  0.991  0.996  0.985  1.0
  Li  Li3  1  0.858  0.428  0.288  1.0
  O  O4  1  0.702  0.352  0.054  1.0
  O  O5  1  0.147  0.072  0.220  1.0
  O  O6  1  0.293  0.452  0.477  1.0
  O  O7  1  0.216  0.246  0.793  1.0
  O  O8  1  0.556  0.972  0.797  1.0
  O  O9  1  0.019  0.845  0.477  1.0
  O  O10  1  0.632  0.178  0.480  1.0
  O  O11  1  0.829  0.580  0.797  1.0
  P  P12  1  0.272  0.135  0.410  1.0
  P  P13  1  0.577  0.289  0.864  1.0
[/CIF]
.