The material structure described by LiCoP2O7 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a distorted see-saw-like geometry to one O(3), one O(4), one O(5), and one O(6) atom. Co(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(4), and one O(5) atom. 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(7) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar 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 150 degrees geometry to one Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiCoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.113
_cell_length_b   8.113
_cell_length_c   8.198
_cell_angle_alpha   62.417
_cell_angle_beta   62.417
_cell_angle_gamma   39.694
_symmetry_Int_Tables_number   1
_cell_volume   299.939
_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  0.403  0.047  0.680  1.0
  Li  Li1  1  0.047  0.403  0.180  1.0
  Co  Co2  1  0.009  0.988  0.999  1.0
  Co  Co3  1  0.988  0.009  0.499  1.0
  P  P4  1  0.540  0.246  0.856  1.0
  P  P5  1  0.246  0.540  0.356  1.0
  P  P6  1  0.753  0.461  0.648  1.0
  P  P7  1  0.461  0.753  0.148  1.0
  O  O8  1  0.710  0.085  0.699  1.0
  O  O9  1  0.706  0.097  0.005  1.0
  O  O10  1  0.330  0.283  0.436  1.0
  O  O11  1  0.283  0.330  0.936  1.0
  O  O12  1  0.948  0.256  0.788  1.0
  O  O13  1  0.886  0.322  0.483  1.0
  O  O14  1  0.097  0.706  0.505  1.0
  O  O15  1  0.085  0.710  0.199  1.0
  O  O16  1  0.722  0.655  0.093  1.0
  O  O17  1  0.497  0.502  0.755  1.0
  O  O18  1  0.502  0.497  0.255  1.0
  O  O19  1  0.655  0.722  0.593  1.0
  O  O20  1  0.322  0.886  0.983  1.0
  O  O21  1  0.256  0.948  0.288  1.0
[/CIF]
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The material structure described by LiCoP2O7 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a distorted see-saw-like geometry to one O(3), one O(4), one O(5), and one O(6) atom. Co(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(4), and one O(5) atom. 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(7) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar 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 150 degrees geometry to one Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiCoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.113
_cell_length_b   8.113
_cell_length_c   8.198
_cell_angle_alpha   62.417
_cell_angle_beta   62.417
_cell_angle_gamma   39.694
_symmetry_Int_Tables_number   1
_cell_volume   299.939
_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  0.403  0.047  0.680  1.0
  Li  Li1  1  0.047  0.403  0.180  1.0
  Co  Co2  1  0.009  0.988  0.999  1.0
  Co  Co3  1  0.988  0.009  0.499  1.0
  P  P4  1  0.540  0.246  0.856  1.0
  P  P5  1  0.246  0.540  0.356  1.0
  P  P6  1  0.753  0.461  0.648  1.0
  P  P7  1  0.461  0.753  0.148  1.0
  O  O8  1  0.710  0.085  0.699  1.0
  O  O9  1  0.706  0.097  0.005  1.0
  O  O10  1  0.330  0.283  0.436  1.0
  O  O11  1  0.283  0.330  0.936  1.0
  O  O12  1  0.948  0.256  0.788  1.0
  O  O13  1  0.886  0.322  0.483  1.0
  O  O14  1  0.097  0.706  0.505  1.0
  O  O15  1  0.085  0.710  0.199  1.0
  O  O16  1  0.722  0.655  0.093  1.0
  O  O17  1  0.497  0.502  0.755  1.0
  O  O18  1  0.502  0.497  0.255  1.0
  O  O19  1  0.655  0.722  0.593  1.0
  O  O20  1  0.322  0.886  0.983  1.0
  O  O21  1  0.256  0.948  0.288  1.0
[/CIF]
.