The material structure described by Li2CoPHO5 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(9), and two equivalent O(7) atoms. In the second Li site, Li(2) is bonded in a 7-coordinate geometry to one H(2), one O(10), one O(2), one O(4), one O(6), and two equivalent O(8) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(3), one O(5), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and one O(9) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Co(4)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the second Co site, Co(2) is bonded to two equivalent O(10), two equivalent O(2), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Co(3)O6 octahedra and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(7), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and corners with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-55°. In the second P site, P(2) is bonded to one O(10), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-56°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Li(2) and one O(2) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one Li(3), one Co(1), one Co(4), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(2), one Li(4), one Co(2), one Co(3), and one H(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Co(3), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Co(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Co(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(4), two equivalent Li(1), one Co(4), and one P(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(3), two equivalent Li(2), one Co(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Co(4), and one P(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Co(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2CoPHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.384
_cell_length_b   5.508
_cell_length_c   7.507
_cell_angle_alpha   109.134
_cell_angle_beta   109.820
_cell_angle_gamma   93.970
_symmetry_Int_Tables_number   1
_cell_volume   193.749
_cell_formula_units_Z   2
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
  Co  Co0  1  1.000  0.000  0.500  1.0
  Co  Co1  1  0.000  0.000  1.000  1.0
  H  H2  1  0.695  0.899  0.632  1.0
  H  H3  1  0.305  0.101  0.368  1.0
  Li  Li4  1  0.484  0.868  0.158  1.0
  Li  Li5  1  0.516  0.132  0.842  1.0
  Li  Li6  1  0.223  0.604  0.293  1.0
  Li  Li7  1  0.777  0.396  0.707  1.0
  O  O8  1  0.164  0.945  0.274  1.0
  O  O9  1  0.836  0.055  0.726  1.0
  O  O10  1  0.263  0.748  0.592  1.0
  O  O11  1  0.737  0.252  0.408  1.0
  O  O12  1  0.652  0.672  0.336  1.0
  O  O13  1  0.348  0.328  0.664  1.0
  O  O14  1  0.613  0.771  0.923  1.0
  O  O15  1  0.387  0.229  0.077  1.0
  O  O16  1  0.123  0.649  0.860  1.0
  O  O17  1  0.877  0.351  0.140  1.0
  P  P18  1  0.330  0.622  0.756  1.0
  P  P19  1  0.670  0.378  0.244  1.0
[/CIF]
.
The material structure described by Li2CoPHO5 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(9), and two equivalent O(7) atoms. In the second Li site, Li(2) is bonded in a 7-coordinate geometry to one H(2), one O(10), one O(2), one O(4), one O(6), and two equivalent O(8) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(3), one O(5), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and one O(9) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Co(4)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the second Co site, Co(2) is bonded to two equivalent O(10), two equivalent O(2), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Co(3)O6 octahedra and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(7), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and corners with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-55°. In the second P site, P(2) is bonded to one O(10), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-56°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Li(2) and one O(2) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one Li(3), one Co(1), one Co(4), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(2), one Li(4), one Co(2), one Co(3), and one H(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Co(3), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Co(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Co(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(4), two equivalent Li(1), one Co(4), and one P(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(3), two equivalent Li(2), one Co(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Co(4), and one P(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Co(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2CoPHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.384
_cell_length_b   5.508
_cell_length_c   7.507
_cell_angle_alpha   109.134
_cell_angle_beta   109.820
_cell_angle_gamma   93.970
_symmetry_Int_Tables_number   1
_cell_volume   193.749
_cell_formula_units_Z   2
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
  Co  Co0  1  1.000  0.000  0.500  1.0
  Co  Co1  1  0.000  0.000  1.000  1.0
  H  H2  1  0.695  0.899  0.632  1.0
  H  H3  1  0.305  0.101  0.368  1.0
  Li  Li4  1  0.484  0.868  0.158  1.0
  Li  Li5  1  0.516  0.132  0.842  1.0
  Li  Li6  1  0.223  0.604  0.293  1.0
  Li  Li7  1  0.777  0.396  0.707  1.0
  O  O8  1  0.164  0.945  0.274  1.0
  O  O9  1  0.836  0.055  0.726  1.0
  O  O10  1  0.263  0.748  0.592  1.0
  O  O11  1  0.737  0.252  0.408  1.0
  O  O12  1  0.652  0.672  0.336  1.0
  O  O13  1  0.348  0.328  0.664  1.0
  O  O14  1  0.613  0.771  0.923  1.0
  O  O15  1  0.387  0.229  0.077  1.0
  O  O16  1  0.123  0.649  0.860  1.0
  O  O17  1  0.877  0.351  0.140  1.0
  P  P18  1  0.330  0.622  0.756  1.0
  P  P19  1  0.670  0.378  0.244  1.0
[/CIF]
.