The structure described by LiCoPO4 is Chalcostibite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O5 square pyramid,  a cornercorner with one Co(3)O5 square pyramid, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with four equivalent Li(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O5 square pyramid,  a cornercorner with one Co(4)O5 square pyramid, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with four equivalent Li(4)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O5 square pyramid,  a cornercorner with one Co(3)O5 square pyramid, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with four equivalent Li(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O5 square pyramid,  a cornercorner with one Co(4)O5 square pyramid, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with four equivalent Li(2)O4 tetrahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(12), one O(13), one O(14), and one O(8) atom to form CoO5 square pyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Co(2)O5 square pyramids. In the second Co site, Co(2) is bonded to one O(11), one O(12), one O(13), one O(14), and one O(7) atom to form CoO5 square pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two equivalent Co(1)O5 square pyramids. In the third Co site, Co(3) is bonded to one O(10), one O(15), one O(16), one O(5), and one O(9) atom to form CoO5 square pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and edges with two equivalent Co(4)O5 square pyramids. In the fourth Co site, Co(4) is bonded to one O(10), one O(15), one O(16), one O(6), and one O(9) atom to form CoO5 square pyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with three equivalent P(4)O4 tetrahedra, and edges with two equivalent Co(3)O5 square pyramids. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(14), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O5 square pyramids, corners with three equivalent Co(2)O5 square pyramids, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Li(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(12), one O(13), one O(2), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Co(2)O5 square pyramids, corners with three equivalent Co(1)O5 square pyramids, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Li(4)O4 tetrahedra. In the third P site, P(3) is bonded to one O(15), one O(3), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Co(4)O5 square pyramids, corners with three equivalent Co(3)O5 square pyramids, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Li(3)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(16), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Co(3)O5 square pyramids, corners with three equivalent Co(4)O5 square pyramids, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Li(4)O4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one P(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one P(4) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Co(3), and one P(3) atom to form corner-sharing OLi2CoP tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Co(4), and one P(4) atom to form corner-sharing OLi2CoP tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Co(2), and one P(1) atom to form corner-sharing OLi2CoP tetrahedra. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Co(1), and one P(2) atom to form corner-sharing OLi2CoP tetrahedra. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Co(3), one Co(4), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Co(3), one Co(4), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Co(3), one Co(4), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Co(3), one Co(4), and one P(4) atom. is represented by the CIF file [CIF]
data_LiCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.288
_cell_length_b   14.700
_cell_length_c   4.822
_cell_angle_alpha   89.987
_cell_angle_beta   89.941
_cell_angle_gamma   90.020
_symmetry_Int_Tables_number   1
_cell_volume   303.948
_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  0.994  0.251  0.734  1.0
  Li  Li1  1  0.992  0.749  0.237  1.0
  Li  Li2  1  0.507  0.249  0.234  1.0
  Li  Li3  1  0.505  0.751  0.737  1.0
  Co  Co4  1  0.543  0.560  0.293  1.0
  Co  Co5  1  0.543  0.440  0.791  1.0
  Co  Co6  1  0.959  0.060  0.290  1.0
  Co  Co7  1  0.958  0.939  0.791  1.0
  P  P8  1  0.006  0.387  0.246  1.0
  P  P9  1  0.004  0.613  0.748  1.0
  P  P10  1  0.496  0.113  0.746  1.0
  P  P11  1  0.494  0.887  0.248  1.0
  O  O12  1  0.174  0.316  0.427  1.0
  O  O13  1  0.172  0.684  0.930  1.0
  O  O14  1  0.327  0.183  0.927  1.0
  O  O15  1  0.325  0.817  0.429  1.0
  O  O16  1  0.693  0.160  0.511  1.0
  O  O17  1  0.691  0.839  0.013  1.0
  O  O18  1  0.809  0.339  0.011  1.0
  O  O19  1  0.807  0.661  0.514  1.0
  O  O20  1  0.256  0.048  0.606  1.0
  O  O21  1  0.255  0.952  0.107  1.0
  O  O22  1  0.245  0.452  0.107  1.0
  O  O23  1  0.244  0.549  0.607  1.0
  O  O24  1  0.770  0.558  0.930  1.0
  O  O25  1  0.771  0.442  0.429  1.0
  O  O26  1  0.730  0.058  0.928  1.0
  O  O27  1  0.729  0.942  0.429  1.0
[/CIF]
.
The structure described by LiCoPO4 is Chalcostibite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O5 square pyramid,  a cornercorner with one Co(3)O5 square pyramid, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with four equivalent Li(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O5 square pyramid,  a cornercorner with one Co(4)O5 square pyramid, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with four equivalent Li(4)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O5 square pyramid,  a cornercorner with one Co(3)O5 square pyramid, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with four equivalent Li(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O5 square pyramid,  a cornercorner with one Co(4)O5 square pyramid, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with four equivalent Li(2)O4 tetrahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(12), one O(13), one O(14), and one O(8) atom to form CoO5 square pyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Co(2)O5 square pyramids. In the second Co site, Co(2) is bonded to one O(11), one O(12), one O(13), one O(14), and one O(7) atom to form CoO5 square pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two equivalent Co(1)O5 square pyramids. In the third Co site, Co(3) is bonded to one O(10), one O(15), one O(16), one O(5), and one O(9) atom to form CoO5 square pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and edges with two equivalent Co(4)O5 square pyramids. In the fourth Co site, Co(4) is bonded to one O(10), one O(15), one O(16), one O(6), and one O(9) atom to form CoO5 square pyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with three equivalent P(4)O4 tetrahedra, and edges with two equivalent Co(3)O5 square pyramids. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(14), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O5 square pyramids, corners with three equivalent Co(2)O5 square pyramids, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Li(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(12), one O(13), one O(2), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Co(2)O5 square pyramids, corners with three equivalent Co(1)O5 square pyramids, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Li(4)O4 tetrahedra. In the third P site, P(3) is bonded to one O(15), one O(3), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Co(4)O5 square pyramids, corners with three equivalent Co(3)O5 square pyramids, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Li(3)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(16), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Co(3)O5 square pyramids, corners with three equivalent Co(4)O5 square pyramids, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Li(4)O4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one P(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one P(4) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Co(3), and one P(3) atom to form corner-sharing OLi2CoP tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Co(4), and one P(4) atom to form corner-sharing OLi2CoP tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Co(2), and one P(1) atom to form corner-sharing OLi2CoP tetrahedra. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Co(1), and one P(2) atom to form corner-sharing OLi2CoP tetrahedra. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Co(3), one Co(4), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Co(3), one Co(4), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Co(3), one Co(4), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Co(3), one Co(4), and one P(4) atom. is represented by the CIF file [CIF]
data_LiCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.288
_cell_length_b   14.700
_cell_length_c   4.822
_cell_angle_alpha   89.987
_cell_angle_beta   89.941
_cell_angle_gamma   90.020
_symmetry_Int_Tables_number   1
_cell_volume   303.948
_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  0.994  0.251  0.734  1.0
  Li  Li1  1  0.992  0.749  0.237  1.0
  Li  Li2  1  0.507  0.249  0.234  1.0
  Li  Li3  1  0.505  0.751  0.737  1.0
  Co  Co4  1  0.543  0.560  0.293  1.0
  Co  Co5  1  0.543  0.440  0.791  1.0
  Co  Co6  1  0.959  0.060  0.290  1.0
  Co  Co7  1  0.958  0.939  0.791  1.0
  P  P8  1  0.006  0.387  0.246  1.0
  P  P9  1  0.004  0.613  0.748  1.0
  P  P10  1  0.496  0.113  0.746  1.0
  P  P11  1  0.494  0.887  0.248  1.0
  O  O12  1  0.174  0.316  0.427  1.0
  O  O13  1  0.172  0.684  0.930  1.0
  O  O14  1  0.327  0.183  0.927  1.0
  O  O15  1  0.325  0.817  0.429  1.0
  O  O16  1  0.693  0.160  0.511  1.0
  O  O17  1  0.691  0.839  0.013  1.0
  O  O18  1  0.809  0.339  0.011  1.0
  O  O19  1  0.807  0.661  0.514  1.0
  O  O20  1  0.256  0.048  0.606  1.0
  O  O21  1  0.255  0.952  0.107  1.0
  O  O22  1  0.245  0.452  0.107  1.0
  O  O23  1  0.244  0.549  0.607  1.0
  O  O24  1  0.770  0.558  0.930  1.0
  O  O25  1  0.771  0.442  0.429  1.0
  O  O26  1  0.730  0.058  0.928  1.0
  O  O27  1  0.729  0.942  0.429  1.0
[/CIF]
.