The material structure described by Li3CoCPO7 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra and edges with two equivalent Co(1)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and one O(7) atom. Co(1) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted CoO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra and edges with two equivalent Li(2)O5 trigonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O5 trigonal bipyramids and corners with three equivalent Co(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Co(1), and one P(1) atom. In the second O site, O(7) is bonded to one Li(2), one Li(3), one Co(1), and one P(1) atom to form corner-sharing OLi2CoP tetrahedra. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one C(1) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(1), and one C(1) atom. In the fifth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Co(1), and one C(1) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and one P(1) atom. In the seventh O site, O(5) is bonded to one Li(1), one Li(3), one Co(1), and one P(1) atom to form distorted corner-sharing OLi2CoP trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3CoPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.370
_cell_length_b   8.650
_cell_length_c   9.667
_cell_angle_alpha   84.738
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   530.420
_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  0.758  0.887  0.355  1.0
  Li  Li1  1  0.742  0.887  0.855  1.0
  Li  Li2  1  0.493  0.719  0.623  1.0
  Li  Li3  1  0.007  0.719  0.123  1.0
  Li  Li4  1  0.250  0.639  0.363  1.0
  Li  Li5  1  0.250  0.639  0.863  1.0
  Li  Li6  1  0.750  0.361  0.637  1.0
  Li  Li7  1  0.750  0.361  0.137  1.0
  Li  Li8  1  0.507  0.281  0.377  1.0
  Li  Li9  1  0.993  0.281  0.877  1.0
  Li  Li10  1  0.242  0.113  0.645  1.0
  Li  Li11  1  0.258  0.113  0.145  1.0
  Co  Co12  1  0.997  0.740  0.622  1.0
  Co  Co13  1  0.503  0.740  0.122  1.0
  Co  Co14  1  0.003  0.260  0.378  1.0
  Co  Co15  1  0.497  0.260  0.878  1.0
  P  P16  1  0.762  0.593  0.386  1.0
  P  P17  1  0.738  0.593  0.886  1.0
  P  P18  1  0.238  0.407  0.614  1.0
  P  P19  1  0.262  0.407  0.114  1.0
  C  C20  1  0.246  0.952  0.402  1.0
  C  C21  1  0.254  0.952  0.902  1.0
  C  C22  1  0.754  0.048  0.598  1.0
  C  C23  1  0.746  0.048  0.098  1.0
  O  O24  1  0.270  0.936  0.273  1.0
  O  O25  1  0.782  0.907  0.556  1.0
  O  O26  1  0.230  0.936  0.773  1.0
  O  O27  1  0.252  0.834  0.495  1.0
  O  O28  1  0.718  0.907  0.056  1.0
  O  O29  1  0.248  0.834  0.995  1.0
  O  O30  1  0.947  0.694  0.328  1.0
  O  O31  1  0.562  0.685  0.333  1.0
  O  O32  1  0.938  0.685  0.833  1.0
  O  O33  1  0.553  0.694  0.828  1.0
  O  O34  1  0.239  0.574  0.657  1.0
  O  O35  1  0.766  0.587  0.549  1.0
  O  O36  1  0.261  0.574  0.157  1.0
  O  O37  1  0.734  0.587  0.049  1.0
  O  O38  1  0.234  0.413  0.451  1.0
  O  O39  1  0.761  0.426  0.343  1.0
  O  O40  1  0.266  0.413  0.951  1.0
  O  O41  1  0.739  0.426  0.843  1.0
  O  O42  1  0.053  0.306  0.672  1.0
  O  O43  1  0.438  0.315  0.667  1.0
  O  O44  1  0.447  0.306  0.172  1.0
  O  O45  1  0.062  0.315  0.167  1.0
  O  O46  1  0.748  0.166  0.505  1.0
  O  O47  1  0.218  0.093  0.444  1.0
  O  O48  1  0.752  0.166  0.005  1.0
  O  O49  1  0.730  0.064  0.727  1.0
  O  O50  1  0.282  0.093  0.944  1.0
  O  O51  1  0.770  0.064  0.227  1.0
[/CIF]
.
The material structure described by Li3CoCPO7 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra and edges with two equivalent Co(1)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and one O(7) atom. Co(1) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted CoO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra and edges with two equivalent Li(2)O5 trigonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O5 trigonal bipyramids and corners with three equivalent Co(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Co(1), and one P(1) atom. In the second O site, O(7) is bonded to one Li(2), one Li(3), one Co(1), and one P(1) atom to form corner-sharing OLi2CoP tetrahedra. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one C(1) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(1), and one C(1) atom. In the fifth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Co(1), and one C(1) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and one P(1) atom. In the seventh O site, O(5) is bonded to one Li(1), one Li(3), one Co(1), and one P(1) atom to form distorted corner-sharing OLi2CoP trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3CoPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.370
_cell_length_b   8.650
_cell_length_c   9.667
_cell_angle_alpha   84.738
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   530.420
_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  0.758  0.887  0.355  1.0
  Li  Li1  1  0.742  0.887  0.855  1.0
  Li  Li2  1  0.493  0.719  0.623  1.0
  Li  Li3  1  0.007  0.719  0.123  1.0
  Li  Li4  1  0.250  0.639  0.363  1.0
  Li  Li5  1  0.250  0.639  0.863  1.0
  Li  Li6  1  0.750  0.361  0.637  1.0
  Li  Li7  1  0.750  0.361  0.137  1.0
  Li  Li8  1  0.507  0.281  0.377  1.0
  Li  Li9  1  0.993  0.281  0.877  1.0
  Li  Li10  1  0.242  0.113  0.645  1.0
  Li  Li11  1  0.258  0.113  0.145  1.0
  Co  Co12  1  0.997  0.740  0.622  1.0
  Co  Co13  1  0.503  0.740  0.122  1.0
  Co  Co14  1  0.003  0.260  0.378  1.0
  Co  Co15  1  0.497  0.260  0.878  1.0
  P  P16  1  0.762  0.593  0.386  1.0
  P  P17  1  0.738  0.593  0.886  1.0
  P  P18  1  0.238  0.407  0.614  1.0
  P  P19  1  0.262  0.407  0.114  1.0
  C  C20  1  0.246  0.952  0.402  1.0
  C  C21  1  0.254  0.952  0.902  1.0
  C  C22  1  0.754  0.048  0.598  1.0
  C  C23  1  0.746  0.048  0.098  1.0
  O  O24  1  0.270  0.936  0.273  1.0
  O  O25  1  0.782  0.907  0.556  1.0
  O  O26  1  0.230  0.936  0.773  1.0
  O  O27  1  0.252  0.834  0.495  1.0
  O  O28  1  0.718  0.907  0.056  1.0
  O  O29  1  0.248  0.834  0.995  1.0
  O  O30  1  0.947  0.694  0.328  1.0
  O  O31  1  0.562  0.685  0.333  1.0
  O  O32  1  0.938  0.685  0.833  1.0
  O  O33  1  0.553  0.694  0.828  1.0
  O  O34  1  0.239  0.574  0.657  1.0
  O  O35  1  0.766  0.587  0.549  1.0
  O  O36  1  0.261  0.574  0.157  1.0
  O  O37  1  0.734  0.587  0.049  1.0
  O  O38  1  0.234  0.413  0.451  1.0
  O  O39  1  0.761  0.426  0.343  1.0
  O  O40  1  0.266  0.413  0.951  1.0
  O  O41  1  0.739  0.426  0.843  1.0
  O  O42  1  0.053  0.306  0.672  1.0
  O  O43  1  0.438  0.315  0.667  1.0
  O  O44  1  0.447  0.306  0.172  1.0
  O  O45  1  0.062  0.315  0.167  1.0
  O  O46  1  0.748  0.166  0.505  1.0
  O  O47  1  0.218  0.093  0.444  1.0
  O  O48  1  0.752  0.166  0.005  1.0
  O  O49  1  0.730  0.064  0.727  1.0
  O  O50  1  0.282  0.093  0.944  1.0
  O  O51  1  0.770  0.064  0.227  1.0
[/CIF]
.