The material described by Li2FeP2O7 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a see-saw-like geometry to one O(10), one O(15), one O(17), and one O(5) atom. In the second Li site, Li(2) is bonded in a see-saw-like geometry to one O(16), one O(18), one O(6), and one O(9) atom. In the third Li site, Li(3) is bonded in a see-saw-like geometry to one O(11), one O(13), one O(19), and one O(7) atom. In the fourth Li site, Li(4) is bonded in a see-saw-like geometry to one O(12), one O(14), one O(20), and one O(8) atom. In the fifth Li site, Li(5) is bonded to one O(19), one O(2), one O(24), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-75°. In the sixth Li site, Li(6) is bonded to one O(1), one O(20), one O(23), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-75°. In the seventh Li site, Li(7) is bonded to one O(17), one O(21), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-75°. In the eighth Li site, Li(8) is bonded to one O(18), one O(22), one O(3), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-75°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(14), one O(18), one O(2), one O(22), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent P(8)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(16), one O(19), one O(24), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(13), one O(17), one O(21), and one O(5) atom to form FeO6 octahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(7)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(15), one O(20), one O(23), one O(3), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(19), one O(25), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(20), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(6)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(17), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(7)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(18), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(8)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the fifth P site, P(5) is bonded to one O(23), one O(27), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-54°. In the sixth P site, P(6) is bonded to one O(24), one O(28), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-54°. In the seventh P site, P(7) is bonded to one O(1), one O(21), one O(25), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-54°. In the eighth P site, P(8) is bonded to one O(2), one O(22), one O(26), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-54°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(6), one Fe(3), and one P(7) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(5), one Fe(1), and one P(8) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(8), one Fe(4), and one P(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(7), one Fe(2), and one P(6) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(7), one Fe(3), and one P(6) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(8), one Fe(1), and one P(5) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one Fe(2), and one P(8) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(4), one Li(6), one Fe(4), and one P(7) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Fe(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Fe(4), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Fe(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one Fe(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(3), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(1), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(4), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(2), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(7), one Fe(3), and one P(3) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(8), one Fe(1), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(5), one Fe(2), and one P(1) atom. In the twentieth O site, O(20) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(6), one Fe(4), and one P(2) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(7), one Fe(3), and one P(7) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(8), one Fe(1), and one P(8) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(6), one Fe(4), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(5), one Fe(2), and one P(6) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one P(1) and one P(7) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one P(2) and one P(8) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2FeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.109
_cell_length_b   7.136
_cell_length_c   8.393
_cell_angle_alpha   90.016
_cell_angle_beta   90.012
_cell_angle_gamma   70.426
_symmetry_Int_Tables_number   1
_cell_volume   288.320
_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
  Fe  Fe0  1  0.205  0.277  0.504  1.0
  Fe  Fe1  1  0.795  0.723  0.004  1.0
  Li  Li2  1  0.172  0.350  0.149  1.0
  Li  Li3  1  0.828  0.650  0.649  1.0
  Li  Li4  1  0.283  0.902  0.831  1.0
  Li  Li5  1  0.717  0.098  0.331  1.0
  O  O6  1  0.070  0.118  0.679  1.0
  O  O7  1  0.930  0.882  0.179  1.0
  O  O8  1  0.144  0.112  0.301  1.0
  O  O9  1  0.856  0.888  0.801  1.0
  O  O10  1  0.208  0.504  0.962  1.0
  O  O11  1  0.792  0.496  0.462  1.0
  O  O12  1  0.230  0.497  0.659  1.0
  O  O13  1  0.770  0.503  0.159  1.0
  O  O14  1  0.438  0.379  0.314  1.0
  O  O15  1  0.562  0.621  0.814  1.0
  O  O16  1  0.628  0.083  0.555  1.0
  O  O17  1  0.372  0.917  0.055  1.0
  O  O18  1  0.607  0.252  0.828  1.0
  O  O19  1  0.393  0.748  0.328  1.0
  P  P20  1  0.392  0.479  0.815  1.0
  P  P21  1  0.608  0.521  0.315  1.0
  P  P22  1  0.207  0.917  0.207  1.0
  P  P23  1  0.793  0.083  0.707  1.0
[/CIF]
.
The material described by Li2FeP2O7 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a see-saw-like geometry to one O(10), one O(15), one O(17), and one O(5) atom. In the second Li site, Li(2) is bonded in a see-saw-like geometry to one O(16), one O(18), one O(6), and one O(9) atom. In the third Li site, Li(3) is bonded in a see-saw-like geometry to one O(11), one O(13), one O(19), and one O(7) atom. In the fourth Li site, Li(4) is bonded in a see-saw-like geometry to one O(12), one O(14), one O(20), and one O(8) atom. In the fifth Li site, Li(5) is bonded to one O(19), one O(2), one O(24), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-75°. In the sixth Li site, Li(6) is bonded to one O(1), one O(20), one O(23), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-75°. In the seventh Li site, Li(7) is bonded to one O(17), one O(21), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-75°. In the eighth Li site, Li(8) is bonded to one O(18), one O(22), one O(3), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-75°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(14), one O(18), one O(2), one O(22), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent P(8)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(16), one O(19), one O(24), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(13), one O(17), one O(21), and one O(5) atom to form FeO6 octahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(7)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(15), one O(20), one O(23), one O(3), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(19), one O(25), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(20), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(6)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(17), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(7)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(18), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(8)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the fifth P site, P(5) is bonded to one O(23), one O(27), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-54°. In the sixth P site, P(6) is bonded to one O(24), one O(28), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-54°. In the seventh P site, P(7) is bonded to one O(1), one O(21), one O(25), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-54°. In the eighth P site, P(8) is bonded to one O(2), one O(22), one O(26), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-54°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(6), one Fe(3), and one P(7) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(5), one Fe(1), and one P(8) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(8), one Fe(4), and one P(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(7), one Fe(2), and one P(6) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(7), one Fe(3), and one P(6) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(8), one Fe(1), and one P(5) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one Fe(2), and one P(8) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(4), one Li(6), one Fe(4), and one P(7) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Fe(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Fe(4), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Fe(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one Fe(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(3), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(1), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(4), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(2), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(7), one Fe(3), and one P(3) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(8), one Fe(1), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(5), one Fe(2), and one P(1) atom. In the twentieth O site, O(20) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(6), one Fe(4), and one P(2) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(7), one Fe(3), and one P(7) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(8), one Fe(1), and one P(8) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(6), one Fe(4), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(5), one Fe(2), and one P(6) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one P(1) and one P(7) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one P(2) and one P(8) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2FeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.109
_cell_length_b   7.136
_cell_length_c   8.393
_cell_angle_alpha   90.016
_cell_angle_beta   90.012
_cell_angle_gamma   70.426
_symmetry_Int_Tables_number   1
_cell_volume   288.320
_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
  Fe  Fe0  1  0.205  0.277  0.504  1.0
  Fe  Fe1  1  0.795  0.723  0.004  1.0
  Li  Li2  1  0.172  0.350  0.149  1.0
  Li  Li3  1  0.828  0.650  0.649  1.0
  Li  Li4  1  0.283  0.902  0.831  1.0
  Li  Li5  1  0.717  0.098  0.331  1.0
  O  O6  1  0.070  0.118  0.679  1.0
  O  O7  1  0.930  0.882  0.179  1.0
  O  O8  1  0.144  0.112  0.301  1.0
  O  O9  1  0.856  0.888  0.801  1.0
  O  O10  1  0.208  0.504  0.962  1.0
  O  O11  1  0.792  0.496  0.462  1.0
  O  O12  1  0.230  0.497  0.659  1.0
  O  O13  1  0.770  0.503  0.159  1.0
  O  O14  1  0.438  0.379  0.314  1.0
  O  O15  1  0.562  0.621  0.814  1.0
  O  O16  1  0.628  0.083  0.555  1.0
  O  O17  1  0.372  0.917  0.055  1.0
  O  O18  1  0.607  0.252  0.828  1.0
  O  O19  1  0.393  0.748  0.328  1.0
  P  P20  1  0.392  0.479  0.815  1.0
  P  P21  1  0.608  0.521  0.315  1.0
  P  P22  1  0.207  0.917  0.207  1.0
  P  P23  1  0.793  0.083  0.707  1.0
[/CIF]
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