The crystal structure described by LiCoPO4 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent Co(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent Co(2)O4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(5), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent Li(2)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(3), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with three equivalent Co(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one P(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Co(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(1), one Co(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 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 distorted trigonal non-coplanar geometry to one Li(1), one Co(1), and one P(1) 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(1) atom. is represented by the CIF card [CIF]
data_LiCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.321
_cell_length_b   8.094
_cell_length_c   8.468
_cell_angle_alpha   75.267
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   352.688
_cell_formula_units_Z   4
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  0.849  0.032  0.073  1.0
  Li  Li1  1  0.667  0.501  0.780  1.0
  Li  Li2  1  0.151  0.032  0.573  1.0
  Li  Li3  1  0.333  0.501  0.280  1.0
  Co  Co4  1  0.336  0.133  0.206  1.0
  Co  Co5  1  0.664  0.133  0.706  1.0
  Co  Co6  1  0.825  0.635  0.385  1.0
  Co  Co7  1  0.175  0.635  0.885  1.0
  P  P8  1  0.830  0.258  0.331  1.0
  P  P9  1  0.672  0.754  0.009  1.0
  P  P10  1  0.328  0.754  0.509  1.0
  P  P11  1  0.170  0.258  0.831  1.0
  O  O12  1  0.799  0.783  0.165  1.0
  O  O13  1  0.201  0.783  0.665  1.0
  O  O14  1  0.599  0.684  0.552  1.0
  O  O15  1  0.686  0.420  0.344  1.0
  O  O16  1  0.299  0.182  0.699  1.0
  O  O17  1  0.701  0.182  0.199  1.0
  O  O18  1  0.685  0.934  0.891  1.0
  O  O19  1  0.315  0.934  0.391  1.0
  O  O20  1  0.401  0.684  0.052  1.0
  O  O21  1  0.314  0.420  0.844  1.0
  O  O22  1  0.815  0.622  0.937  1.0
  O  O23  1  0.178  0.123  0.999  1.0
  O  O24  1  0.890  0.300  0.782  1.0
  O  O25  1  0.185  0.622  0.437  1.0
  O  O26  1  0.822  0.123  0.499  1.0
  O  O27  1  0.110  0.300  0.282  1.0
[/CIF]
.
The crystal structure described by LiCoPO4 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent Co(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent Co(2)O4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(5), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent Li(2)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(3), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with three equivalent Co(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one P(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Co(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(1), one Co(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 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 distorted trigonal non-coplanar geometry to one Li(1), one Co(1), and one P(1) 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(1) atom. is represented by the CIF card [CIF]
data_LiCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.321
_cell_length_b   8.094
_cell_length_c   8.468
_cell_angle_alpha   75.267
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   352.688
_cell_formula_units_Z   4
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  0.849  0.032  0.073  1.0
  Li  Li1  1  0.667  0.501  0.780  1.0
  Li  Li2  1  0.151  0.032  0.573  1.0
  Li  Li3  1  0.333  0.501  0.280  1.0
  Co  Co4  1  0.336  0.133  0.206  1.0
  Co  Co5  1  0.664  0.133  0.706  1.0
  Co  Co6  1  0.825  0.635  0.385  1.0
  Co  Co7  1  0.175  0.635  0.885  1.0
  P  P8  1  0.830  0.258  0.331  1.0
  P  P9  1  0.672  0.754  0.009  1.0
  P  P10  1  0.328  0.754  0.509  1.0
  P  P11  1  0.170  0.258  0.831  1.0
  O  O12  1  0.799  0.783  0.165  1.0
  O  O13  1  0.201  0.783  0.665  1.0
  O  O14  1  0.599  0.684  0.552  1.0
  O  O15  1  0.686  0.420  0.344  1.0
  O  O16  1  0.299  0.182  0.699  1.0
  O  O17  1  0.701  0.182  0.199  1.0
  O  O18  1  0.685  0.934  0.891  1.0
  O  O19  1  0.315  0.934  0.391  1.0
  O  O20  1  0.401  0.684  0.052  1.0
  O  O21  1  0.314  0.420  0.844  1.0
  O  O22  1  0.815  0.622  0.937  1.0
  O  O23  1  0.178  0.123  0.999  1.0
  O  O24  1  0.890  0.300  0.782  1.0
  O  O25  1  0.185  0.622  0.437  1.0
  O  O26  1  0.822  0.123  0.499  1.0
  O  O27  1  0.110  0.300  0.282  1.0
[/CIF]
.