The structure described by LiCoPO4 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(2), one O(4), and one O(6) atom. In the third Li site, Li(3) is bonded in a distorted T-shaped geometry to one O(11), one O(13), and one O(15) atom. In the fourth Li site, Li(4) is bonded in a distorted T-shaped geometry to one O(12), one O(14), and one O(16) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(14), one O(3), one O(5), and one O(8) atom to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Co(4)O5 trigonal bipyramid, and  an edgeedge with one P(1)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(15), one O(7), and one O(9) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Co(3)O5 trigonal bipyramid, and  an edgeedge with one Co(4)O5 trigonal bipyramid. In the third Co site, Co(3) is bonded to one O(11), one O(13), one O(4), one O(6), and one O(7) atom to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one P(2)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(10), one O(16), one O(2), one O(8), and one O(9) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Co(1)O5 trigonal bipyramid, and  an edgeedge with one Co(2)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(16), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O5 trigonal bipyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid, and  an edgeedge with one Co(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(12), one O(15), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one Co(3)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(1), one O(13), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(3)O5 trigonal bipyramid, corners with two equivalent Co(2)O5 trigonal bipyramids, and corners with two equivalent Co(4)O5 trigonal bipyramids. In the fourth P site, P(4) is bonded to one O(10), one O(14), one O(2), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(3)O5 trigonal bipyramid, corners with two equivalent Co(2)O5 trigonal bipyramids, and corners with two equivalent Co(4)O5 trigonal bipyramids. 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 Co(2), and one P(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Co(4), and one P(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar 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 trigonal planar geometry to one Li(2), one Co(3), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one Co(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(3), and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Co(3), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Co(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(2), and one P(2) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(4), 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   5.906
_cell_length_b   6.459
_cell_length_c   9.460
_cell_angle_alpha   74.227
_cell_angle_beta   95.519
_cell_angle_gamma   99.727
_symmetry_Int_Tables_number   1
_cell_volume   341.825
_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  0.594  0.164  0.262  1.0
  Li  Li1  1  0.407  0.835  0.738  1.0
  Li  Li2  1  0.427  0.343  0.675  1.0
  Li  Li3  1  0.572  0.658  0.325  1.0
  Co  Co4  1  0.025  0.922  0.287  1.0
  Co  Co5  1  0.802  0.372  0.928  1.0
  Co  Co6  1  0.975  0.078  0.713  1.0
  Co  Co7  1  0.197  0.628  0.072  1.0
  P  P8  1  0.155  0.288  0.381  1.0
  P  P9  1  0.846  0.712  0.619  1.0
  P  P10  1  0.281  0.174  1.000  1.0
  P  P11  1  0.718  0.826  0.000  1.0
  O  O12  1  0.528  0.260  0.049  1.0
  O  O13  1  0.471  0.741  0.951  1.0
  O  O14  1  0.301  0.119  0.357  1.0
  O  O15  1  0.701  0.880  0.644  1.0
  O  O16  1  0.908  0.217  0.324  1.0
  O  O17  1  0.093  0.781  0.676  1.0
  O  O18  1  0.798  0.052  0.893  1.0
  O  O19  1  0.202  0.949  0.107  1.0
  O  O20  1  0.123  0.339  0.013  1.0
  O  O21  1  0.876  0.661  0.987  1.0
  O  O22  1  0.169  0.285  0.546  1.0
  O  O23  1  0.831  0.715  0.454  1.0
  O  O24  1  0.271  0.160  0.839  1.0
  O  O25  1  0.728  0.841  0.162  1.0
  O  O26  1  0.739  0.476  0.705  1.0
  O  O27  1  0.261  0.523  0.295  1.0
[/CIF]
.
The structure described by LiCoPO4 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(2), one O(4), and one O(6) atom. In the third Li site, Li(3) is bonded in a distorted T-shaped geometry to one O(11), one O(13), and one O(15) atom. In the fourth Li site, Li(4) is bonded in a distorted T-shaped geometry to one O(12), one O(14), and one O(16) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(14), one O(3), one O(5), and one O(8) atom to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Co(4)O5 trigonal bipyramid, and  an edgeedge with one P(1)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(15), one O(7), and one O(9) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Co(3)O5 trigonal bipyramid, and  an edgeedge with one Co(4)O5 trigonal bipyramid. In the third Co site, Co(3) is bonded to one O(11), one O(13), one O(4), one O(6), and one O(7) atom to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one P(2)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(10), one O(16), one O(2), one O(8), and one O(9) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Co(1)O5 trigonal bipyramid, and  an edgeedge with one Co(2)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(16), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O5 trigonal bipyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid, and  an edgeedge with one Co(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(12), one O(15), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one Co(3)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(1), one O(13), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(3)O5 trigonal bipyramid, corners with two equivalent Co(2)O5 trigonal bipyramids, and corners with two equivalent Co(4)O5 trigonal bipyramids. In the fourth P site, P(4) is bonded to one O(10), one O(14), one O(2), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(3)O5 trigonal bipyramid, corners with two equivalent Co(2)O5 trigonal bipyramids, and corners with two equivalent Co(4)O5 trigonal bipyramids. 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 Co(2), and one P(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Co(4), and one P(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar 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 trigonal planar geometry to one Li(2), one Co(3), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one Co(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(3), and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Co(3), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Co(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(2), and one P(2) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(4), 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   5.906
_cell_length_b   6.459
_cell_length_c   9.460
_cell_angle_alpha   74.227
_cell_angle_beta   95.519
_cell_angle_gamma   99.727
_symmetry_Int_Tables_number   1
_cell_volume   341.825
_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  0.594  0.164  0.262  1.0
  Li  Li1  1  0.407  0.835  0.738  1.0
  Li  Li2  1  0.427  0.343  0.675  1.0
  Li  Li3  1  0.572  0.658  0.325  1.0
  Co  Co4  1  0.025  0.922  0.287  1.0
  Co  Co5  1  0.802  0.372  0.928  1.0
  Co  Co6  1  0.975  0.078  0.713  1.0
  Co  Co7  1  0.197  0.628  0.072  1.0
  P  P8  1  0.155  0.288  0.381  1.0
  P  P9  1  0.846  0.712  0.619  1.0
  P  P10  1  0.281  0.174  1.000  1.0
  P  P11  1  0.718  0.826  0.000  1.0
  O  O12  1  0.528  0.260  0.049  1.0
  O  O13  1  0.471  0.741  0.951  1.0
  O  O14  1  0.301  0.119  0.357  1.0
  O  O15  1  0.701  0.880  0.644  1.0
  O  O16  1  0.908  0.217  0.324  1.0
  O  O17  1  0.093  0.781  0.676  1.0
  O  O18  1  0.798  0.052  0.893  1.0
  O  O19  1  0.202  0.949  0.107  1.0
  O  O20  1  0.123  0.339  0.013  1.0
  O  O21  1  0.876  0.661  0.987  1.0
  O  O22  1  0.169  0.285  0.546  1.0
  O  O23  1  0.831  0.715  0.454  1.0
  O  O24  1  0.271  0.160  0.839  1.0
  O  O25  1  0.728  0.841  0.162  1.0
  O  O26  1  0.739  0.476  0.705  1.0
  O  O27  1  0.261  0.523  0.295  1.0
[/CIF]
.