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 to one O(5), one O(8), and two equivalent O(1) atoms to form LiO4 trigonal pyramids that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Co(1)O5 trigonal bipyramid,  an edgeedge with one Co(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(6) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(6), one O(8), and two equivalent O(4) atoms to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one P(1)O4 tetrahedra,  an edgeedge with one Co(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form CoO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra, corners with two equivalent Co(1)O5 trigonal bipyramids, corners with three equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Co(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Co(2)O4 tetrahedra,  a cornercorner with one Co(1)O5 trigonal bipyramid, and  a cornercorner with one Li(1)O4 trigonal pyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Co(1), and one P(1) 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 trigonal planar geometry to one Li(2), one Co(2), and one P(1) atom. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Co(1), and one P(1) atom to form distorted edge-sharing OLiCo2P trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Co(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Co(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(1), one Co(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.175
_cell_length_b   7.899
_cell_length_c   8.758
_cell_angle_alpha   92.363
_cell_angle_beta   92.777
_cell_angle_gamma   77.885
_symmetry_Int_Tables_number   1
_cell_volume   349.422
_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  0.134  0.969  0.345  1.0
  Li  Li1  1  0.866  0.031  0.655  1.0
  Li  Li2  1  0.180  0.436  0.233  1.0
  Li  Li3  1  0.820  0.564  0.767  1.0
  Co  Co4  1  0.310  0.680  0.557  1.0
  Co  Co5  1  0.690  0.320  0.443  1.0
  Co  Co6  1  0.236  0.192  0.909  1.0
  Co  Co7  1  0.764  0.808  0.091  1.0
  P  P8  1  0.242  0.285  0.576  1.0
  P  P9  1  0.758  0.715  0.424  1.0
  P  P10  1  0.240  0.793  0.890  1.0
  P  P11  1  0.760  0.207  0.110  1.0
  O  O12  1  0.061  0.177  0.486  1.0
  O  O13  1  0.939  0.823  0.514  1.0
  O  O14  1  0.011  0.283  0.087  1.0
  O  O15  1  0.989  0.717  0.913  1.0
  O  O16  1  0.120  0.348  0.731  1.0
  O  O17  1  0.880  0.652  0.269  1.0
  O  O18  1  0.265  0.441  0.474  1.0
  O  O19  1  0.735  0.559  0.526  1.0
  O  O20  1  0.148  0.975  0.818  1.0
  O  O21  1  0.852  0.025  0.182  1.0
  O  O22  1  0.422  0.671  0.776  1.0
  O  O23  1  0.578  0.329  0.224  1.0
  O  O24  1  0.391  0.808  0.044  1.0
  O  O25  1  0.609  0.192  0.956  1.0
  O  O26  1  0.531  0.181  0.592  1.0
  O  O27  1  0.469  0.819  0.408  1.0
[/CIF]
.
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 to one O(5), one O(8), and two equivalent O(1) atoms to form LiO4 trigonal pyramids that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Co(1)O5 trigonal bipyramid,  an edgeedge with one Co(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(6) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(6), one O(8), and two equivalent O(4) atoms to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one P(1)O4 tetrahedra,  an edgeedge with one Co(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form CoO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra, corners with two equivalent Co(1)O5 trigonal bipyramids, corners with three equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Co(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Co(2)O4 tetrahedra,  a cornercorner with one Co(1)O5 trigonal bipyramid, and  a cornercorner with one Li(1)O4 trigonal pyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Co(1), and one P(1) 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 trigonal planar geometry to one Li(2), one Co(2), and one P(1) atom. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Co(1), and one P(1) atom to form distorted edge-sharing OLiCo2P trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Co(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Co(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(1), one Co(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.175
_cell_length_b   7.899
_cell_length_c   8.758
_cell_angle_alpha   92.363
_cell_angle_beta   92.777
_cell_angle_gamma   77.885
_symmetry_Int_Tables_number   1
_cell_volume   349.422
_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  0.134  0.969  0.345  1.0
  Li  Li1  1  0.866  0.031  0.655  1.0
  Li  Li2  1  0.180  0.436  0.233  1.0
  Li  Li3  1  0.820  0.564  0.767  1.0
  Co  Co4  1  0.310  0.680  0.557  1.0
  Co  Co5  1  0.690  0.320  0.443  1.0
  Co  Co6  1  0.236  0.192  0.909  1.0
  Co  Co7  1  0.764  0.808  0.091  1.0
  P  P8  1  0.242  0.285  0.576  1.0
  P  P9  1  0.758  0.715  0.424  1.0
  P  P10  1  0.240  0.793  0.890  1.0
  P  P11  1  0.760  0.207  0.110  1.0
  O  O12  1  0.061  0.177  0.486  1.0
  O  O13  1  0.939  0.823  0.514  1.0
  O  O14  1  0.011  0.283  0.087  1.0
  O  O15  1  0.989  0.717  0.913  1.0
  O  O16  1  0.120  0.348  0.731  1.0
  O  O17  1  0.880  0.652  0.269  1.0
  O  O18  1  0.265  0.441  0.474  1.0
  O  O19  1  0.735  0.559  0.526  1.0
  O  O20  1  0.148  0.975  0.818  1.0
  O  O21  1  0.852  0.025  0.182  1.0
  O  O22  1  0.422  0.671  0.776  1.0
  O  O23  1  0.578  0.329  0.224  1.0
  O  O24  1  0.391  0.808  0.044  1.0
  O  O25  1  0.609  0.192  0.956  1.0
  O  O26  1  0.531  0.181  0.592  1.0
  O  O27  1  0.469  0.819  0.408  1.0
[/CIF]
.