The crystal structure described by Li2CoP2O7 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(2), one O(3), one O(4), and one O(5) atom to form distorted LiO4 trigonal pyramids that share corners with four equivalent Co(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-73°. In the second Li site, Li(2) is bonded to one O(1), one O(3), and two equivalent O(7) atoms to form LiO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 68-73°. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form distorted CoO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with four equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(2)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(4), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 48-57°. In the second P site, P(2) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 34-63°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(2), 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(1), one Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Co(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Co(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Co(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li2CoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.060
_cell_length_b   7.004
_cell_length_c   8.201
_cell_angle_alpha   113.114
_cell_angle_beta   91.144
_cell_angle_gamma   90.935
_symmetry_Int_Tables_number   1
_cell_volume   267.168
_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
  Li  Li0  1  0.237  0.813  0.430  1.0
  Li  Li1  1  0.708  0.152  0.995  1.0
  Li  Li2  1  0.292  0.848  0.005  1.0
  Li  Li3  1  0.763  0.187  0.570  1.0
  Co  Co4  1  0.780  0.761  0.722  1.0
  Co  Co5  1  0.220  0.239  0.278  1.0
  P  P6  1  0.287  0.455  0.695  1.0
  P  P7  1  0.227  0.122  0.822  1.0
  P  P8  1  0.773  0.878  0.178  1.0
  P  P9  1  0.713  0.545  0.305  1.0
  O  O10  1  0.854  0.340  0.218  1.0
  O  O11  1  0.133  0.295  0.535  1.0
  O  O12  1  0.073  0.920  0.218  1.0
  O  O13  1  0.867  0.705  0.465  1.0
  O  O14  1  0.927  0.080  0.782  1.0
  O  O15  1  0.581  0.479  0.663  1.0
  O  O16  1  0.399  0.978  0.677  1.0
  O  O17  1  0.714  0.640  0.153  1.0
  O  O18  1  0.419  0.521  0.337  1.0
  O  O19  1  0.691  0.870  0.993  1.0
  O  O20  1  0.601  0.022  0.323  1.0
  O  O21  1  0.309  0.130  0.007  1.0
  O  O22  1  0.146  0.660  0.782  1.0
  O  O23  1  0.286  0.360  0.847  1.0
[/CIF]
.
The crystal structure described by Li2CoP2O7 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(2), one O(3), one O(4), and one O(5) atom to form distorted LiO4 trigonal pyramids that share corners with four equivalent Co(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-73°. In the second Li site, Li(2) is bonded to one O(1), one O(3), and two equivalent O(7) atoms to form LiO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 68-73°. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form distorted CoO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with four equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(2)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(4), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 48-57°. In the second P site, P(2) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 34-63°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(2), 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(1), one Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Co(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Co(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Co(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li2CoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.060
_cell_length_b   7.004
_cell_length_c   8.201
_cell_angle_alpha   113.114
_cell_angle_beta   91.144
_cell_angle_gamma   90.935
_symmetry_Int_Tables_number   1
_cell_volume   267.168
_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
  Li  Li0  1  0.237  0.813  0.430  1.0
  Li  Li1  1  0.708  0.152  0.995  1.0
  Li  Li2  1  0.292  0.848  0.005  1.0
  Li  Li3  1  0.763  0.187  0.570  1.0
  Co  Co4  1  0.780  0.761  0.722  1.0
  Co  Co5  1  0.220  0.239  0.278  1.0
  P  P6  1  0.287  0.455  0.695  1.0
  P  P7  1  0.227  0.122  0.822  1.0
  P  P8  1  0.773  0.878  0.178  1.0
  P  P9  1  0.713  0.545  0.305  1.0
  O  O10  1  0.854  0.340  0.218  1.0
  O  O11  1  0.133  0.295  0.535  1.0
  O  O12  1  0.073  0.920  0.218  1.0
  O  O13  1  0.867  0.705  0.465  1.0
  O  O14  1  0.927  0.080  0.782  1.0
  O  O15  1  0.581  0.479  0.663  1.0
  O  O16  1  0.399  0.978  0.677  1.0
  O  O17  1  0.714  0.640  0.153  1.0
  O  O18  1  0.419  0.521  0.337  1.0
  O  O19  1  0.691  0.870  0.993  1.0
  O  O20  1  0.601  0.022  0.323  1.0
  O  O21  1  0.309  0.130  0.007  1.0
  O  O22  1  0.146  0.660  0.782  1.0
  O  O23  1  0.286  0.360  0.847  1.0
[/CIF]
.