The material described by Li4P2O7 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 trigonal planar geometry to one O(3), one O(4), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one P(2), one O(3), and two equivalent O(6) atoms. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Li(4)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(4), one O(5), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one O(3)Li3O tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(4)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(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one O(3)Li3O tetrahedra, and corners with four equivalent Li(4)O4 tetrahedra. In the second P site, P(2) is bonded in a 4-coordinate geometry to one Li(2), one O(1), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(4), and one P(1) atom to form distorted OLi3P tetrahedra that share  a cornercorner with one O(3)Li3O tetrahedra,  a cornercorner with one O(6)Li3P tetrahedra, and  an edgeedge with one O(2)Li3P tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), and one O(5) atom to form distorted OLi3O tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one O(2)Li3P tetrahedra, and corners with three equivalent O(6)Li3P tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(4), one P(1), and one O(3) atom. In the sixth O site, O(6) is bonded to one Li(3), two equivalent Li(2), and one P(2) atom to form distorted OLi3P tetrahedra that share  a cornercorner with one O(2)Li3P tetrahedra, corners with three equivalent O(3)Li3O tetrahedra, and  an edgeedge with one O(6)Li3P tetrahedra. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one P(2) atom. is represented by the CIF file [CIF]
data_Li4P2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.476
_cell_length_b   5.706
_cell_length_c   9.807
_cell_angle_alpha   103.604
_cell_angle_beta   98.103
_cell_angle_gamma   98.549
_symmetry_Int_Tables_number   1
_cell_volume   289.515
_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  0.194  0.897  0.192  1.0
  Li  Li1  1  0.806  0.103  0.808  1.0
  Li  Li2  1  0.595  0.315  0.425  1.0
  Li  Li3  1  0.405  0.685  0.575  1.0
  Li  Li4  1  0.702  0.761  0.305  1.0
  Li  Li5  1  0.298  0.239  0.695  1.0
  Li  Li6  1  0.697  0.689  0.002  1.0
  Li  Li7  1  0.303  0.311  0.998  1.0
  P  P8  1  0.832  0.289  0.132  1.0
  P  P9  1  0.168  0.711  0.868  1.0
  P  P10  1  0.031  0.223  0.426  1.0
  P  P11  1  0.969  0.777  0.574  1.0
  O  O12  1  0.041  0.363  0.265  1.0
  O  O13  1  0.959  0.637  0.735  1.0
  O  O14  1  0.649  0.467  0.134  1.0
  O  O15  1  0.351  0.533  0.866  1.0
  O  O16  1  0.536  0.025  0.245  1.0
  O  O17  1  0.464  0.975  0.755  1.0
  O  O18  1  0.944  0.242  0.999  1.0
  O  O19  1  0.056  0.758  0.001  1.0
  O  O20  1  0.673  0.020  0.124  1.0
  O  O21  1  0.327  0.980  0.876  1.0
  O  O22  1  0.303  0.330  0.511  1.0
  O  O23  1  0.697  0.670  0.489  1.0
  O  O24  1  0.033  0.957  0.343  1.0
  O  O25  1  0.967  0.043  0.657  1.0
[/CIF]
.
The material described by Li4P2O7 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 trigonal planar geometry to one O(3), one O(4), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one P(2), one O(3), and two equivalent O(6) atoms. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Li(4)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(4), one O(5), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one O(3)Li3O tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(4)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(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one O(3)Li3O tetrahedra, and corners with four equivalent Li(4)O4 tetrahedra. In the second P site, P(2) is bonded in a 4-coordinate geometry to one Li(2), one O(1), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(4), and one P(1) atom to form distorted OLi3P tetrahedra that share  a cornercorner with one O(3)Li3O tetrahedra,  a cornercorner with one O(6)Li3P tetrahedra, and  an edgeedge with one O(2)Li3P tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), and one O(5) atom to form distorted OLi3O tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one O(2)Li3P tetrahedra, and corners with three equivalent O(6)Li3P tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(4), one P(1), and one O(3) atom. In the sixth O site, O(6) is bonded to one Li(3), two equivalent Li(2), and one P(2) atom to form distorted OLi3P tetrahedra that share  a cornercorner with one O(2)Li3P tetrahedra, corners with three equivalent O(3)Li3O tetrahedra, and  an edgeedge with one O(6)Li3P tetrahedra. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one P(2) atom. is represented by the CIF file [CIF]
data_Li4P2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.476
_cell_length_b   5.706
_cell_length_c   9.807
_cell_angle_alpha   103.604
_cell_angle_beta   98.103
_cell_angle_gamma   98.549
_symmetry_Int_Tables_number   1
_cell_volume   289.515
_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  0.194  0.897  0.192  1.0
  Li  Li1  1  0.806  0.103  0.808  1.0
  Li  Li2  1  0.595  0.315  0.425  1.0
  Li  Li3  1  0.405  0.685  0.575  1.0
  Li  Li4  1  0.702  0.761  0.305  1.0
  Li  Li5  1  0.298  0.239  0.695  1.0
  Li  Li6  1  0.697  0.689  0.002  1.0
  Li  Li7  1  0.303  0.311  0.998  1.0
  P  P8  1  0.832  0.289  0.132  1.0
  P  P9  1  0.168  0.711  0.868  1.0
  P  P10  1  0.031  0.223  0.426  1.0
  P  P11  1  0.969  0.777  0.574  1.0
  O  O12  1  0.041  0.363  0.265  1.0
  O  O13  1  0.959  0.637  0.735  1.0
  O  O14  1  0.649  0.467  0.134  1.0
  O  O15  1  0.351  0.533  0.866  1.0
  O  O16  1  0.536  0.025  0.245  1.0
  O  O17  1  0.464  0.975  0.755  1.0
  O  O18  1  0.944  0.242  0.999  1.0
  O  O19  1  0.056  0.758  0.001  1.0
  O  O20  1  0.673  0.020  0.124  1.0
  O  O21  1  0.327  0.980  0.876  1.0
  O  O22  1  0.303  0.330  0.511  1.0
  O  O23  1  0.697  0.670  0.489  1.0
  O  O24  1  0.033  0.957  0.343  1.0
  O  O25  1  0.967  0.043  0.657  1.0
[/CIF]
.