The material structure described by Li2CoP2O7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(2) atoms. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. 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(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-70°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), and one P(1) atom to form distorted OLi2CoP trigonal pyramids that share corners with three equivalent O(2)Li2CoP trigonal pyramids and corners with three equivalent O(4)Li2P2 trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded to two equivalent Li(1) and two equivalent P(1) atoms to form distorted corner-sharing OLi2P2 trigonal pyramids. is represented by the CIF file [CIF]
data_Li2CoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.234
_cell_length_b   5.234
_cell_length_c   11.536
_cell_angle_alpha   84.461
_cell_angle_beta   84.461
_cell_angle_gamma   55.256
_symmetry_Int_Tables_number   1
_cell_volume   258.119
_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  0.624  0.080  0.661  1.0
  Li  Li1  1  0.920  0.376  0.839  1.0
  Li  Li2  1  0.080  0.624  0.161  1.0
  Li  Li3  1  0.376  0.920  0.339  1.0
  Co  Co4  1  0.000  0.500  0.500  1.0
  Co  Co5  1  0.500  0.000  0.000  1.0
  P  P6  1  0.655  0.241  0.373  1.0
  P  P7  1  0.759  0.345  0.127  1.0
  P  P8  1  0.241  0.655  0.873  1.0
  P  P9  1  0.345  0.759  0.627  1.0
  O  O10  1  0.318  0.501  0.595  1.0
  O  O11  1  0.650  0.672  0.160  1.0
  O  O12  1  0.043  0.200  0.046  1.0
  O  O13  1  0.499  0.682  0.905  1.0
  O  O14  1  0.888  0.112  0.250  1.0
  O  O15  1  0.800  0.957  0.454  1.0
  O  O16  1  0.328  0.350  0.340  1.0
  O  O17  1  0.672  0.650  0.660  1.0
  O  O18  1  0.200  0.043  0.546  1.0
  O  O19  1  0.112  0.888  0.750  1.0
  O  O20  1  0.501  0.318  0.095  1.0
  O  O21  1  0.957  0.800  0.954  1.0
  O  O22  1  0.350  0.328  0.840  1.0
  O  O23  1  0.682  0.499  0.405  1.0
[/CIF]
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The material structure described by Li2CoP2O7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(2) atoms. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. 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(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-70°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), and one P(1) atom to form distorted OLi2CoP trigonal pyramids that share corners with three equivalent O(2)Li2CoP trigonal pyramids and corners with three equivalent O(4)Li2P2 trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded to two equivalent Li(1) and two equivalent P(1) atoms to form distorted corner-sharing OLi2P2 trigonal pyramids. is represented by the CIF file [CIF]
data_Li2CoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.234
_cell_length_b   5.234
_cell_length_c   11.536
_cell_angle_alpha   84.461
_cell_angle_beta   84.461
_cell_angle_gamma   55.256
_symmetry_Int_Tables_number   1
_cell_volume   258.119
_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  0.624  0.080  0.661  1.0
  Li  Li1  1  0.920  0.376  0.839  1.0
  Li  Li2  1  0.080  0.624  0.161  1.0
  Li  Li3  1  0.376  0.920  0.339  1.0
  Co  Co4  1  0.000  0.500  0.500  1.0
  Co  Co5  1  0.500  0.000  0.000  1.0
  P  P6  1  0.655  0.241  0.373  1.0
  P  P7  1  0.759  0.345  0.127  1.0
  P  P8  1  0.241  0.655  0.873  1.0
  P  P9  1  0.345  0.759  0.627  1.0
  O  O10  1  0.318  0.501  0.595  1.0
  O  O11  1  0.650  0.672  0.160  1.0
  O  O12  1  0.043  0.200  0.046  1.0
  O  O13  1  0.499  0.682  0.905  1.0
  O  O14  1  0.888  0.112  0.250  1.0
  O  O15  1  0.800  0.957  0.454  1.0
  O  O16  1  0.328  0.350  0.340  1.0
  O  O17  1  0.672  0.650  0.660  1.0
  O  O18  1  0.200  0.043  0.546  1.0
  O  O19  1  0.112  0.888  0.750  1.0
  O  O20  1  0.501  0.318  0.095  1.0
  O  O21  1  0.957  0.800  0.954  1.0
  O  O22  1  0.350  0.328  0.840  1.0
  O  O23  1  0.682  0.499  0.405  1.0
[/CIF]
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