The crystal 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(3), one O(4), one O(6), and one O(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(4), one O(6), one O(7), one O(8), and two equivalent O(5) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(4), one O(7), and two equivalent O(1) atoms to form distorted CoO6 pentagonal pyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 pentagonal pyramid, and  an edgeedge with one P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Co(2)O6 pentagonal pyramids and  an edgeedge with one Co(2)O6 pentagonal pyramid. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 pentagonal pyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Co(2) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Co(1), one Co(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Co(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Co(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), one Co(1), one Co(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(1), and one P(2) atom. is represented by the CIF card [CIF]
data_LiCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.499
_cell_length_b   6.259
_cell_length_c   9.215
_cell_angle_alpha   103.875
_cell_angle_beta   83.680
_cell_angle_gamma   103.554
_symmetry_Int_Tables_number   1
_cell_volume   298.862
_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  0.649  0.012  0.242  1.0
  Li  Li1  1  0.351  0.988  0.758  1.0
  Li  Li2  1  0.205  0.153  0.416  1.0
  Li  Li3  1  0.795  0.847  0.584  1.0
  Co  Co4  1  0.849  0.546  0.287  1.0
  Co  Co5  1  0.151  0.454  0.713  1.0
  Co  Co6  1  0.277  0.335  0.086  1.0
  Co  Co7  1  0.723  0.665  0.914  1.0
  P  P8  1  0.195  0.802  0.049  1.0
  P  P9  1  0.805  0.198  0.951  1.0
  P  P10  1  0.321  0.678  0.424  1.0
  P  P11  1  0.679  0.322  0.576  1.0
  O  O12  1  0.387  0.663  0.065  1.0
  O  O13  1  0.613  0.337  0.935  1.0
  O  O14  1  0.927  0.711  0.115  1.0
  O  O15  1  0.073  0.289  0.885  1.0
  O  O16  1  0.848  0.223  0.120  1.0
  O  O17  1  0.152  0.777  0.880  1.0
  O  O18  1  0.303  0.045  0.132  1.0
  O  O19  1  0.697  0.955  0.868  1.0
  O  O20  1  0.130  0.819  0.407  1.0
  O  O21  1  0.870  0.181  0.593  1.0
  O  O22  1  0.594  0.773  0.367  1.0
  O  O23  1  0.406  0.227  0.633  1.0
  O  O24  1  0.216  0.436  0.328  1.0
  O  O25  1  0.784  0.564  0.672  1.0
  O  O26  1  0.666  0.320  0.409  1.0
  O  O27  1  0.334  0.680  0.591  1.0
[/CIF]
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The crystal 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(3), one O(4), one O(6), and one O(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(4), one O(6), one O(7), one O(8), and two equivalent O(5) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(4), one O(7), and two equivalent O(1) atoms to form distorted CoO6 pentagonal pyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 pentagonal pyramid, and  an edgeedge with one P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Co(2)O6 pentagonal pyramids and  an edgeedge with one Co(2)O6 pentagonal pyramid. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 pentagonal pyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Co(2) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Co(1), one Co(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Co(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Co(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), one Co(1), one Co(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(1), and one P(2) atom. is represented by the CIF card [CIF]
data_LiCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.499
_cell_length_b   6.259
_cell_length_c   9.215
_cell_angle_alpha   103.875
_cell_angle_beta   83.680
_cell_angle_gamma   103.554
_symmetry_Int_Tables_number   1
_cell_volume   298.862
_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  0.649  0.012  0.242  1.0
  Li  Li1  1  0.351  0.988  0.758  1.0
  Li  Li2  1  0.205  0.153  0.416  1.0
  Li  Li3  1  0.795  0.847  0.584  1.0
  Co  Co4  1  0.849  0.546  0.287  1.0
  Co  Co5  1  0.151  0.454  0.713  1.0
  Co  Co6  1  0.277  0.335  0.086  1.0
  Co  Co7  1  0.723  0.665  0.914  1.0
  P  P8  1  0.195  0.802  0.049  1.0
  P  P9  1  0.805  0.198  0.951  1.0
  P  P10  1  0.321  0.678  0.424  1.0
  P  P11  1  0.679  0.322  0.576  1.0
  O  O12  1  0.387  0.663  0.065  1.0
  O  O13  1  0.613  0.337  0.935  1.0
  O  O14  1  0.927  0.711  0.115  1.0
  O  O15  1  0.073  0.289  0.885  1.0
  O  O16  1  0.848  0.223  0.120  1.0
  O  O17  1  0.152  0.777  0.880  1.0
  O  O18  1  0.303  0.045  0.132  1.0
  O  O19  1  0.697  0.955  0.868  1.0
  O  O20  1  0.130  0.819  0.407  1.0
  O  O21  1  0.870  0.181  0.593  1.0
  O  O22  1  0.594  0.773  0.367  1.0
  O  O23  1  0.406  0.227  0.633  1.0
  O  O24  1  0.216  0.436  0.328  1.0
  O  O25  1  0.784  0.564  0.672  1.0
  O  O26  1  0.666  0.320  0.409  1.0
  O  O27  1  0.334  0.680  0.591  1.0
[/CIF]
.